SCHEMBL6999680

SCHEMBL6999680

CC(C)c1cc(C(N)=O)c(NC(=O)Cc2ccsc2)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.52
GFER P55789 1/20 0.52
LMNA P02545 2/20 0.52
TSHR P16473 1/20 0.52
KDM4E B2RXH2 4/20 0.49
MAPT P10636 3/20 0.49
ESR2 Q92731 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 2/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
TDP1 Q9NUW8 1/20 0.47
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 2/20 0.47
MAPK8 P45983 2/20 0.45

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
SCHEMBL7005070 0.84 MAPK8 (0.63) MAPK1GFERLMNAKDM4EMAPT
SCHEMBL24489072 0.82 MAPK1 (0.51) MAPK1GFERLMNAKDM4EMAPT
SCHEMBL24489006 0.82 MAPK1 (0.51) MAPK1GFERLMNAKDM4EMAPT
SCHEMBL7003921 0.81 MAPK8 (0.67) MAPK1GFERLMNAKDM4EMAPT
SCHEMBL7002102 0.80 MAPK8 (0.62) MAPK1GFERLMNATSHRKDM4E
SCHEMBL7670579 0.79 MAPK8 (0.63) MAPK1GFERLMNAKDM4EMAPT
SCHEMBL6996789 0.77 RAB9A (0.60) MAPK1GFERLMNAKDM4EMAPT
SCHEMBL7002052 0.75 MAPK1 (0.54) MAPK1GFERLMNAKDM4EMAPT
SCHEMBL7003529 0.74 MAPK1 (0.53) MAPK1GFERLMNATSHRKDM4E
SCHEMBL5835937 0.74 CDK2 (0.71) NPC1RAB9ATDP1ALDH1A1SMN1; SMN2

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