SCHEMBL6980131

SCHEMBL6980131

CSc1sc(C(N)=O)c(C)c1-c1oncc1C(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 6/20 0.55
CDK8 P49336 6/20 0.55
CDK19 Q9BWU1 6/20 0.55
GAA P10253 1/20 0.39
CDK9 P50750 1/20 0.39
MAPT P10636 3/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30
IKBKB O14920 1/20 0.30
LIMK1 P53667 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30
AR P10275 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL6978646 0.85 CCNC (0.59) CCNCCDK8CDK19GAACDK9
SCHEMBL6967359 0.82 CCNC (0.56) CCNCCDK8CDK19GAACDK9
SCHEMBL6978882 0.79 CCNC (0.55) CCNCCDK8CDK19GAACDK9
SCHEMBL6975301 0.77 CCNC (0.51) CCNCCDK8CDK19GAACDK9
SCHEMBL6975855 0.77 CCNC (0.45) CCNCCDK8CDK19CDK9KMT2A
SCHEMBL7700630 0.74 CCNC (0.47) CCNCCDK8CDK19GAACDK9
SCHEMBL6971843 0.74 CCNC (0.45) CCNCCDK8CDK19GAACDK9
SCHEMBL6965992 0.74 CCNC (0.48) CCNCCDK8CDK19GAACDK9
SCHEMBL6974246 0.72 CCNC (0.45) CCNCCDK8CDK19CDK9CYP2C19
SCHEMBL6976237 0.71 CCNC (0.55) CCNCCDK8CDK19GAACDK9

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-1120415-B1 SUBSTITUTED ISOXAZOLYLTHIOPHENE COMPOUNDS TAISHO PHARMACEUTICAL CO LTD (JP) 2003-07-23 EP disclosed
US-6355663-B1 AN ENHANCING AGENT FOR THE ACTION OF CELL DIFFERENTIATION INDUCTION FACTORS FOR BONE DISORDERS AND NERVOUS SYSTEM DISORDERS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2002-03-12 US disclosed
EP-1120415-A1 SUBSTITUTED ISOXAZOLYLTHIOPHENE COMPOUNDS TAISHO PHARMACEUTICAL CO., LTD (JP) 2001-08-01 EP disclosed