SCHEMBL6977569

SCHEMBL6977569

CCCc1c(C(N)=O)sc(SC)c1-c1oncc1C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNC P24863 5/20 0.53
CDK8 P49336 5/20 0.53
CDK19 Q9BWU1 5/20 0.53
CDK9 P50750 1/20 0.38
CYP19A1 P11511 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
IKBKB O14920 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GAA P10253 1/20 0.31
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL6976237 0.91 CCNC (0.55) CCNCCDK8CDK19CDK9CYP19A1
SCHEMBL6968568 0.84 CCNC (0.48) CCNCCDK8CDK19CDK9IKBKB
SCHEMBL6978646 0.83 CCNC (0.59) CCNCCDK8CDK19CDK9CYP2C19
SCHEMBL7700630 0.83 CCNC (0.47) CCNCCDK8CDK19CDK9GAA
SCHEMBL6978882 0.79 CCNC (0.55) CCNCCDK8CDK19CDK9GAA
SCHEMBL6975301 0.76 CCNC (0.51) CCNCCDK8CDK19CDK9CYP19A1
SCHEMBL6974246 0.75 CCNC (0.45) CCNCCDK8CDK19CDK9CYP19A1
SCHEMBL6967359 0.75 CCNC (0.56) CCNCCDK8CDK19CDK9IKBKB
SCHEMBL6965992 0.74 CCNC (0.48) CCNCCDK8CDK19CDK9MEN1
SCHEMBL6975855 0.71 CCNC (0.45) CCNCCDK8CDK19CDK9KMT2A

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