Vinblastine

Vinblastine

SCHEMBL13279561

CC[C@]1(O)C[C@@H]2C[N@@](CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[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)[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)[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

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 Vinblastine. 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 1.00
▸ TUBB known ✓ P07437 6/20 1.00
▸ TUBA3C known ✓ P0DPH7 6/20 1.00
▸ TUBA1B known ✓ P68363 6/20 1.00
▸ TUBA4A known ✓ P68366 6/20 1.00
▸ TUBB4B known ✓ P68371 6/20 1.00
▸ TUBB3 known ✓ Q13509 6/20 1.00
▸ TUBB2A known ✓ Q13885 6/20 1.00
▸ TUBB8 known ✓ Q3ZCM7 6/20 1.00
▸ TUBA3E known ✓ Q6PEY2 6/20 1.00
▸ TUBA1A known ✓ Q71U36 6/20 1.00
▸ TUBA1C known ✓ Q9BQE3 6/20 1.00
▸ TUBB6 known ✓ Q9BUF5 6/20 1.00
▸ TUBB2B known ✓ Q9BVA1 6/20 1.00
▸ TUBB1 known ✓ Q9H4B7 6/20 1.00
▸ MAPT P10636 8/20 1.00
▸ MEN1 O00255 7/20 1.00
▸ KMT2A Q03164 7/20 1.00
▸ LMNA P02545 6/20 1.00
▸ CYP3A4 P08684 6/20 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
Vinblastine SCHEMBL13300979 1.00 MAPT (1.00) MAPTMEN1KMT2ATUBB4ATUBB
Vinblastine SCHEMBL14601228 1.00 MAPT (1.00) MAPTMEN1KMT2ATUBB4ATUBB
Vinblastine SCHEMBL15866631 1.00 MAPT (1.00) MAPTMEN1KMT2ATUBB4ATUBB
Vinblastine SCHEMBL18613184 1.00 MAPT (1.00) MAPTMEN1KMT2ATUBB4ATUBB
Vinblastine SCHEMBL14445014 1.00 MAPT (1.00) MAPTMEN1KMT2ATUBB4ATUBB
Vinblastine SCHEMBL4707820 1.00 MAPT (1.00) MAPTMEN1KMT2ATUBB4ATUBB
Vinblastine SCHEMBL14077137 1.00 MAPT (1.00) MAPTMEN1KMT2ATUBB4ATUBB
Vinblastine SCHEMBL22450052 1.00 MAPT (1.00) MAPTMEN1KMT2ATUBB4ATUBB
Vinblastine SCHEMBL22022258 1.00 MAPT (1.00) MAPTMEN1KMT2ATUBB4ATUBB
Vinblastine SCHEMBL13529124 1.00 MAPT (1.00) MAPTMEN1KMT2ATUBB4ATUBB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2697374-A2 MICRO-RNA INHIBITORS AND THEIR USES IN DISEASE Beth Israel Deaconess Medical Center, Inc. (US) 2014-02-19 — — EP disclosed
WO-2012142313-A2 MICRO-RNA INHIBITORS AND THEIR USES IN DISEASE BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2012-10-18 — — WO disclosed
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