SCHEMBL7437764

SCHEMBL7437764

CSc1sc(C(=O)N(C)C)c2c1C(=O)C(=CO)C(C)(C)C2

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
CDK19 Q9BWU1 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
LMNA P02545 1/20 0.42
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 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
SCHEMBL7437761 1.00 CCNC (0.43) CCNCCDK8CDK19NPSR1LMNA
SCHEMBL7433588 0.86 NPSR1 (0.39) CCNCCDK8CDK19NPSR1LMNA
SCHEMBL7249139 0.82 NPSR1 (0.55) NPSR1LMNAKDM4EALDH1A1POLB
SCHEMBL7249137 0.82 NPSR1 (0.55) NPSR1LMNAKDM4EALDH1A1POLB
SCHEMBL7442946 0.81 NPSR1 (0.39) NPSR1LMNAKDM4EALDH1A1POLB
SCHEMBL7442942 0.81 NPSR1 (0.39) NPSR1LMNAKDM4EALDH1A1POLB
SCHEMBL7441294 0.81 NPSR1 (0.39) NPSR1LMNAKDM4EALDH1A1POLB
SCHEMBL7430603 0.80 NPSR1 (0.38) CCNCCDK8CDK19NPSR1LMNA
SCHEMBL7437156 0.79 LMNA (0.38) NPSR1LMNAKDM4EALDH1A1POLB
SCHEMBL7437153 0.79 LMNA (0.38) NPSR1LMNAKDM4EALDH1A1POLB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6143773-A Substituted thienobenzisoxazole derivatives for enhancing cognition MERCK SHARP & DOHME LIMITED (GB) 2000-11-07 US disclosed