SCHEMBL6997352

SCHEMBL6997352

CC(=O)Nc1cccc(C(=O)Nc2sc(C(C)c3ccccc3)cc2C(N)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.47
KDM4E B2RXH2 3/20 0.46
MAPT P10636 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
RAB9A P51151 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
IKBKB O14920 4/20 0.46
POLB P06746 1/20 0.43

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
SCHEMBL7003029 0.89 CACNA1B (0.50) SIRT2KDM4EMAPTKMT2AMEN1
SCHEMBL7675378 0.83 KDM4E (0.49) SIRT2KDM4EMAPTKMT2AMEN1
SCHEMBL7666423 0.82 RAB9A (0.48) KDM4EMAPTKMT2AMEN1NPC1
SCHEMBL7669819 0.81 KDM4E (0.48) KDM4EMAPTKMT2AMEN1NPC1
SCHEMBL5093025 0.81 IKBKB (0.57) KDM4EMAPTKMT2AMEN1IKBKB
SCHEMBL6995431 0.78 GPR139 (0.49) KDM4EMAPTKMT2AMEN1NPC1
SCHEMBL7666511 0.78 MAPT (0.51) KDM4EMAPTKMT2AMEN1NPC1
SCHEMBL7668077 0.77 MAPT (0.41) KDM4EMAPTKMT2AMEN1NPC1
SCHEMBL7676277 0.77 KDM4E (0.50) KDM4EMAPTKMT2AMEN1NPC1
SCHEMBL7674466 0.76 HDAC1 (0.53) KDM4EMAPTKMT2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1294707-A2 THIOPHENE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2003-03-26 EP claimed
US-6414013-B1 KINASE INHIBITORS; ANTICANCER AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-07-02 US claimed
WO-2001098290-A2 THIOPHENE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2001-12-27 WO claimed