SCHEMBL2660945

SCHEMBL2660945

COC(OC)C(CNC(=O)c1cc2cccc(NS(=O)(=O)c3nc(C)cn3C)c2[nH]1)SCc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
HDAC3 O15379 2/20 0.33
HDAC1 Q13547 2/20 0.33
PLCG2 P16885 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 1/20 0.33
TUBA1C Q9BQE3 1/20 0.33
TUBB6 Q9BUF5 1/20 0.33

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
SCHEMBL2661453 0.89 ITGB3 (0.34) MAPTKDM4E
SCHEMBL2659341 0.84 MAPT (0.41) MAPTLMNATP53THRBHDAC3
SCHEMBL2660420 0.84 MAPT (0.40) MAPTLMNATP53THRBHDAC3
SCHEMBL2660519 0.83 HDAC3 (0.35) MAPTLMNATP53THRBHDAC3
SCHEMBL2659947 0.82 ALDH1A1 (0.40) TP53
SCHEMBL2659829 0.77 ALDH1A1 (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2660946 0.77 MAPT (0.36) MAPTLMNATP53THRBHDAC3
SCHEMBL13221198 0.76 PLCG2 (0.39) MAPTLMNATP53THRBHDAC3
SCHEMBL2659639 0.75 CDK1 (0.45) MAPTLMNAKDM4EPOLB
SCHEMBL2660055 0.75 MAPT (0.39) MAPTLMNATP53THRBHDAC1

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-2074119-A1 INDOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-07-01 EP disclosed
WO-2008050821-A1 INDOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-02 WO disclosed