SCHEMBL6970409

SCHEMBL6970409

CNC(=O)c1sc(SC)c(-c2cc(C)no2)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
CCNC P24863 2/20 0.43
CDK8 P49336 2/20 0.43
CDK19 Q9BWU1 2/20 0.43
KDM4E B2RXH2 4/20 0.39
MAPT P10636 3/20 0.39
POLB P06746 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 4/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
S100A4 P26447 1/20 0.34

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
SCHEMBL6968247 0.85 GAA (0.43) GAACCNCCDK8CDK19KDM4E
SCHEMBL6971843 0.84 CCNC (0.45) GAACCNCCDK8CDK19KDM4E
SCHEMBL6978994 0.83 CCNC (0.43) GAACCNCCDK8CDK19KDM4E
SCHEMBL10274852 0.64 POLB (0.64) GAAMAPTPOLBKMT2AMEN1
SCHEMBL5704571 0.63 KDM4E (0.39) GAAKDM4EMAPTKMT2AMEN1
SCHEMBL7980960 0.63 KDM4E (0.39) KDM4EMAPTPOLBKMT2AMEN1
SCHEMBL11866533 0.63 KMT2A (0.72) GAAKDM4EMAPTPOLBKMT2A
SCHEMBL18429189 0.60 CCNC (1.00) CCNCCDK8CDK19
SCHEMBL6978646 0.60 CCNC (0.59) GAACCNCCDK8CDK19KDM4E
SCHEMBL7981965 0.59 MAPT (0.37) KDM4EMAPTPOLBKMT2AALDH1A1

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