SCHEMBL6975301

SCHEMBL6975301

CCCCc1cnoc1-c1c(SC)sc(C(N)=O)c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 5/20 0.51
CDK8 P49336 5/20 0.51
CDK19 Q9BWU1 5/20 0.51
CDK9 P50750 1/20 0.36
IKBKB O14920 2/20 0.34
GAA P10253 1/20 0.34
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 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
SCHEMBL6967359 0.90 CCNC (0.56) CCNCCDK8CDK19CDK9IKBKB
SCHEMBL6978646 0.81 CCNC (0.59) CCNCCDK8CDK19CDK9IKBKB
SCHEMBL7700630 0.81 CCNC (0.47) CCNCCDK8CDK19CDK9GAA
SCHEMBL6980131 0.77 CCNC (0.55) CCNCCDK8CDK19CDK9IKBKB
SCHEMBL6977569 0.76 CCNC (0.53) CCNCCDK8CDK19CDK9IKBKB
SCHEMBL6974246 0.74 CCNC (0.45) CCNCCDK8CDK19CDK9CYP19A1
SCHEMBL6976237 0.73 CCNC (0.55) CCNCCDK8CDK19CDK9GAA
SCHEMBL6968568 0.72 CCNC (0.48) CCNCCDK8CDK19CDK9IKBKB
SCHEMBL6965992 0.70 CCNC (0.48) CCNCCDK8CDK19CDK9GAA
SCHEMBL6975855 0.69 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 2 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
EP-1120415-A1 SUBSTITUTED ISOXAZOLYLTHIOPHENE COMPOUNDS TAISHO PHARMACEUTICAL CO., LTD (JP) 2001-08-01 EP disclosed