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Sugi Predict / Compounds / Vindesine

Vindesine

Vindesine

SCHEMBL6061457

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(N)=O)[C@H](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(N)=O)[C@H](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 →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MLNR O43193 1/20 1.00
▸ PTGS2 P35354 1/20 1.00
▸ KCNH2 Q12809 1/20 1.00
▸ GHSR Q92847 1/20 1.00
▸ MEN1 O00255 5/20 0.87
▸ KMT2A Q03164 5/20 0.87
▸ CYP3A4 P08684 4/20 0.87
▸ RECQL P46063 4/20 0.87
▸ TP53 P04637 3/20 0.87
▸ ALOX15 P16050 3/20 0.87
▸ CREBBP Q92793 1/20 0.87
▸ TUBB4A P04350 13/20 0.85
▸ TUBB P07437 13/20 0.85
▸ TUBA3C P0DPH7 13/20 0.85
▸ TUBA1B P68363 13/20 0.85
▸ TUBA4A P68366 13/20 0.85
▸ TUBB4B P68371 13/20 0.85
▸ TUBB3 Q13509 13/20 0.85
▸ TUBB2A Q13885 13/20 0.85
▸ TUBB8 Q3ZCM7 13/20 0.85

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
Vindesine SCHEMBL13287292 1.00 MLNR (1.00) MLNRPTGS2KCNH2GHSRMEN1
Vindesine SCHEMBL4420 1.00 MLNR (1.00) MLNRPTGS2KCNH2GHSRMEN1
Vindesine SCHEMBL14317791 1.00 MLNR (1.00) MLNRPTGS2KCNH2GHSRMEN1
Vindesine SCHEMBL13524311 1.00 MLNR (1.00) MLNRPTGS2KCNH2GHSRMEN1
Vindesine SCHEMBL13529131 1.00 MLNR (1.00) MLNRPTGS2KCNH2GHSRMEN1
Vindesine SCHEMBL15866615 1.00 MLNR (1.00) MLNRPTGS2KCNH2GHSRMEN1
Vindesine SCHEMBL15187454 1.00 MLNR (1.00) MLNRPTGS2KCNH2GHSRMEN1
Vindesine SCHEMBL21229943 1.00 MLNR (1.00) MLNRPTGS2KCNH2GHSRMEN1
Vindesine SCHEMBL20622397 1.00 MLNR (1.00) MLNRPTGS2KCNH2GHSRMEN1
Vindesine SCHEMBL13211594 1.00 MLNR (1.00) MLNRPTGS2KCNH2GHSRMEN1

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
WO-2017024315-A1 HETEROCYCLIC THIOSEMICARBAZONE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS NANT HOLDINGS IP, LLC (US) 2017-02-09 — — WO disclosed
EP-1068870-B1 ANTITUMOR AGENTS AJINOMOTO KK (JP) 2006-06-07 — — EP disclosed