SCHEMBL9728832

SCHEMBL9728832

CCCCCCCCCCCc1coc(N)n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.48
NOS2 P35228 1/20 0.40
FBP1 P09467 1/20 0.39
ALDH1A1 P00352 2/20 0.37
HTR2A P28223 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
DHFR P00374 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TLR8 Q9NR97 1/20 0.35

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
SCHEMBL544961 0.98 KCNH2 (0.46) KCNH2NOS2FBP1ALDH1A1TLR7
SCHEMBL5545704 0.79 KCNH2 (0.50) KCNH2NOS2ALDH1A1HPGD
SCHEMBL5545700 0.78 KCNH2 (0.48) KCNH2ALDH1A1HPGD
SCHEMBL5537310 0.77 KCNH2 (0.47) KCNH2NOS2
SCHEMBL2867677 0.77 KCNH2 (0.47) KCNH2NOS2ALDH1A1MEN1RAB9A
SCHEMBL5537302 0.76 KCNH2 (0.46) KCNH2NOS2MEN1KMT2A
SCHEMBL27629471 0.76 KCNH2 (0.46) KCNH2NOS2
SCHEMBL3721914 0.76 KCNH2 (0.46) KCNH2NOS2MEN1KMT2A
SCHEMBL5545607 0.75 KCNH2 (0.46) KCNH2ALDH1A1HPGD
SCHEMBL2731415 0.74 KCNH2 (0.44) KCNH2

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-5162360-A Treating hypercholesterolemia and atherosclerosis; ACAT acyl-coenzyme A:-cholesterol acyltransferase WARNER-LAMBERT COMPANY (US) 1992-11-10 US disclosed