SCHEMBL6994736

SCHEMBL6994736

Cc1cccc(C)c1C(=O)Nc1sc(C(C)C)cc1C(N)=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.61
MAPT P10636 4/20 0.61
MAPK1 P28482 2/20 0.55
GFER P55789 2/20 0.55
ALDH1A1 P00352 4/20 0.52
HPGD P15428 4/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
IKBKB O14920 2/20 0.44
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
FLT3 P36888 1/20 0.41
USP2 O75604 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL7007163 0.87 MAPT (0.65) KDM4EMAPTMAPK1GFERALDH1A1
SCHEMBL6998760 0.81 MAPK1 (0.54) KDM4EMAPTMAPK1GFERALDH1A1
SCHEMBL7005053 0.81 MAPT (0.57) KDM4EMAPTMAPK1GFERALDH1A1
SCHEMBL7003289 0.81 MAPT (0.57) KDM4EMAPTMAPK1GFERALDH1A1
SCHEMBL7670579 0.79 MAPK8 (0.63) KDM4EMAPTMAPK1GFERALDH1A1
SCHEMBL7005044 0.79 MEN1 (0.59) KDM4EMAPTMAPK1GFERALDH1A1
SCHEMBL7002626 0.78 MAPK1 (0.57) KDM4EMAPTMAPK1GFERALDH1A1
SCHEMBL7003680 0.78 KDM4E (0.63) KDM4EMAPTMAPK1GFERALDH1A1
SCHEMBL7004958 0.78 ALDH1A1 (0.52) KDM4EMAPTMAPK1GFERALDH1A1
SCHEMBL7003989 0.77 MAPK1 (0.56) KDM4EMAPTMAPK1GFERALDH1A1

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