SCHEMBL2659972

SCHEMBL2659972

COC(OC)C(C)(CNC(=O)c1cc2cccc(NS(=O)(=O)c3sccc3C)c2[nH]1)SCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.33
NSD2 O96028 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
TUBB2B Q9BVA1 1/20 0.33
TUBB1 Q9H4B7 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
SCHEMBL2659696 0.87 NSD2 (0.37) MCL1NSD2HDAC3HDAC1PLCG2
SCHEMBL2659227 0.86 NSD2 (0.35) MCL1NSD2HDAC3HDAC1PLCG2
SCHEMBL2659093 0.85 NSD2 (0.36) MCL1NSD2HDAC3HDAC1PLCG2
SCHEMBL2659077 0.84 NSD2 (0.33) MCL1NSD2HDAC3HDAC1PLCG2
SCHEMBL2660519 0.83 HDAC3 (0.35) NSD2HDAC3HDAC1PLCG2TUBB4A
SCHEMBL2659423 0.81 HRH4 (0.32) NSD2HDAC3HDAC1PLCG2MAPT
SCHEMBL2660564 0.81 KDM4E (0.37) MAPTLMNA
SCHEMBL2660563 0.81 HDAC3 (0.36) NSD2HDAC3HDAC1PLCG2PLA2G7
SCHEMBL2661515 0.79 MAPK8 (0.33) MAPTLMNATP53
SCHEMBL2659974 0.78 PLCG2 (0.36) PLCG2MAPTLMNATP53THRB

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