Vincristine

Vincristine

SCHEMBL4709855

CC[C@]1(O)C[C@H]2C[N@](CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C=O)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1.CC[C@]1(O)C[C@H]2C[N@](CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C=O)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1.O=S(=O)(O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8

The experimentally established mechanism targets of Vincristine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A known ✓ P04350 6/20 0.97
▸ TUBB known ✓ P07437 6/20 0.97
▸ TUBA3C known ✓ P0DPH7 6/20 0.97
▸ TUBA1B known ✓ P68363 6/20 0.97
▸ TUBA4A known ✓ P68366 6/20 0.97
▸ TUBB4B known ✓ P68371 6/20 0.97
▸ TUBB3 known ✓ Q13509 6/20 0.97
▸ TUBB2A known ✓ Q13885 6/20 0.97
▸ TUBB8 known ✓ Q3ZCM7 6/20 0.97
▸ TUBA3E known ✓ Q6PEY2 6/20 0.97
▸ TUBA1A known ✓ Q71U36 6/20 0.97
▸ TUBA1C known ✓ Q9BQE3 6/20 0.97
▸ TUBB6 known ✓ Q9BUF5 6/20 0.97
▸ TUBB2B known ✓ Q9BVA1 6/20 0.97
▸ TUBB1 known ✓ Q9H4B7 6/20 0.97
▸ MAPT P10636 8/20 1.00
▸ MEN1 O00255 7/20 1.00
▸ KMT2A Q03164 7/20 1.00
▸ LMNA P02545 6/20 1.00
▸ HIF1A Q16665 5/20 1.00

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Vincristine SCHEMBL3710 1.00 MAPT (1.00) MAPTMEN1KMT2ALMNAHIF1A
Vincristine SCHEMBL2946485 1.00 MAPT (1.00) MAPTMEN1KMT2ALMNAHIF1A
Vincristine SCHEMBL18398051 1.00 MAPT (1.00) MAPTMEN1KMT2ALMNAHIF1A
Vincristine SCHEMBL3998 1.00 MAPT (1.00) MAPTMEN1KMT2ALMNAHIF1A
Vincristine SCHEMBL4640472 1.00 MAPT (1.00) MAPTMEN1KMT2ALMNAHIF1A
Vincristine SCHEMBL29519343 1.00 MAPT (1.00) MAPTMEN1KMT2ALMNAHIF1A
Vincristine SCHEMBL29895946 1.00 MAPT (1.00) MAPTMEN1KMT2ALMNAHIF1A
Vincristine SCHEMBL4742962 0.99 MAPT (0.98) MAPTMEN1KMT2ALMNAHIF1A
Vincristine SCHEMBL3709 0.98 LMNA (1.00) MAPTMEN1KMT2ALMNAHIF1A
Vincristine SCHEMBL14177979 0.98 LMNA (1.00) MAPTMEN1KMT2ALMNAHIF1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3426249-A1 SMALL MOLECULE INDUCERS OF REACTIVE OXYGEN SPECIES AND INHIBITORS OF MITOCHONDRIAL ACTIVITY The Regents of The University of Michigan (US) 2019-01-16 — — EP disclosed
WO-2017184751-A1 COMPOSITIONS AND METHODS FOR TREATING AND PREVENTING HYPERTENSION ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2017-10-26 — — WO disclosed
WO-2017165663-A1 BIOMARKERS FOR CANCER ASSOCIATED WITH HEDGEHOG PATHWAY ACTIVITY AND RELATED USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2017-09-28 — — WO disclosed
WO-2017155991-A1 SMALL MOLECULE INDUCERS OF REACTIVE OXYGEN SPECIES AND INHIBITORS OF MITOCHONDRIAL ACTIVITY THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-09-14 — — WO disclosed
WO-2016187544-A1 COMPOSITIONS AND METHODS FOR TREATING AND PREVENTING CANCER THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-11-24 — — WO disclosed
EP-2970965-A2 DNAI FOR THE MODULATION OF GENES Pronai Therapeutics, Inc. (US) 2016-01-20 — — EP disclosed
WO-2014144942-A2 DNAI FOR THE MODULATION OF GENES PRONAI THERAPEUTICS, INC. (US) 2014-09-18 — — WO disclosed
EP-2057173-B1 AMIDES AS SPHINGOMYELINE INHIBITORS NOVARTIS AG (CH) 2014-02-26 — — EP disclosed
EP-2697374-A2 MICRO-RNA INHIBITORS AND THEIR USES IN DISEASE Beth Israel Deaconess Medical Center, Inc. (US) 2014-02-19 — — EP disclosed
WO-2013078392-A1 METHODS AND COMPOSITIONS INVOLVING INDUCED SENESCENT CELLS FOR CANCER TREATMENT THE UNIVERSITY OF CHICAGO (US) 2013-05-30 — — WO disclosed
WO-2013052943-A2 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHGIAN (US) 2013-04-11 — — WO disclosed
WO-2012142313-A2 MICRO-RNA INHIBITORS AND THEIR USES IN DISEASE BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2012-10-18 — — WO disclosed
EP-1915377-A1 PYRAZOLO PYRIMIDINES USEFUL AS AURORA KINASE INHIBITORS Sunesis Pharmaceuticals, Inc. (US) 2008-04-30 — — EP disclosed
WO-2007013964-A1 PYRAZOLO PYRIMIDINES USEFUL AS AURORA KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2007-02-01 — — WO disclosed
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