SCHEMBL6965992

SCHEMBL6965992

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 7/20 0.48
CDK8 P49336 7/20 0.48
CDK19 Q9BWU1 7/20 0.48
KDM4E B2RXH2 3/20 0.41
POLB P06746 2/20 0.41
RXFP1 Q9HBX9 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.40
GRIA4 P48058 2/20 0.35
GRIA2 P42262 1/20 0.33
MAPT P10636 2/20 0.33
CDK9 P50750 1/20 0.33
LMNA P02545 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GPR35 Q9HC97 3/20 0.32
BCAT2 O15382 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
PKM P14618 1/20 0.31

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
SCHEMBL7700630 0.77 CCNC (0.47) CCNCCDK8CDK19GAACDK9
SCHEMBL6976237 0.76 CCNC (0.55) CCNCCDK8CDK19KDM4EGAA
SCHEMBL6978882 0.76 CCNC (0.55) CCNCCDK8CDK19GAACDK9
SCHEMBL6975855 0.74 CCNC (0.45) CCNCCDK8CDK19ALDH1A1CDK9
SCHEMBL6974246 0.74 CCNC (0.45) CCNCCDK8CDK19ALDH1A1CDK9
SCHEMBL6967359 0.74 CCNC (0.56) CCNCCDK8CDK19KDM4EPOLB
SCHEMBL6977569 0.74 CCNC (0.53) CCNCCDK8CDK19ALDH1A1GAA
SCHEMBL6968247 0.74 GAA (0.43) CCNCCDK8CDK19KDM4EPOLB
SCHEMBL6980131 0.74 CCNC (0.55) CCNCCDK8CDK19KDM4EPOLB
SCHEMBL6975301 0.70 CCNC (0.51) CCNCCDK8CDK19KDM4EPOLB

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