SCHEMBL7433588

SCHEMBL7433588

CSc1sc(C(=O)N(C)C2CCCCC2)c2c1C(=O)C(=CO)C(C)(C)C2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 2/20 0.39
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
CDK19 Q9BWU1 1/20 0.33
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
S1PR1 P21453 1/20 0.30
HPGD P15428 2/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 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
SCHEMBL7437764 0.86 CCNC (0.43) NPSR1LMNACCNCCDK8CDK19
SCHEMBL7437761 0.86 CCNC (0.43) NPSR1LMNACCNCCDK8CDK19
SCHEMBL7415050 0.81 NPSR1 (0.56) NPSR1LMNAALDH1A1KDM4EPOLB
SCHEMBL7441294 0.77 NPSR1 (0.39) NPSR1LMNAALDH1A1KDM4EPOLB
SCHEMBL7442946 0.76 NPSR1 (0.39) NPSR1LMNAALDH1A1KDM4EPOLB
SCHEMBL7434349 0.76 CCNC (0.43) NPSR1LMNACCNCCDK8CDK19
SCHEMBL7437156 0.71 LMNA (0.38) NPSR1LMNAALDH1A1KDM4EPOLB
SCHEMBL7437153 0.71 LMNA (0.38) NPSR1LMNAALDH1A1KDM4EPOLB
SCHEMBL7440268 0.65 HPGD (0.33) LMNAALDH1A1HPGDTSHR
SCHEMBL7429710 0.64 HPGD (0.32) NPSR1LMNAALDH1A1HPGDTSHR

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