SCHEMBL7349772

SCHEMBL7349772

N#Cc1ccc([C]=O)c(C#N)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.39
IMPDH1 P20839 1/20 0.39
STS P08842 1/20 0.39
CA2 P00918 4/20 0.37
CA1 P00915 3/20 0.37
VCAM1 P19320 2/20 0.36
CYP2A6 P11509 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CA12 O43570 1/20 0.36
CA3 P07451 1/20 0.36
CA6 P23280 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
USP8 P40818 1/20 0.35
USP7 Q93009 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
LRRK2 Q5S007 1/20 0.35
ESRRA P11474 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
SCHEMBL818327 0.85 IMPDH2 (0.45) IMPDH2IMPDH1STSCA2CYP2A6
SCHEMBL30488974 0.85 IMPDH2 (0.45) IMPDH2IMPDH1STSCA2CYP2A6
SCHEMBL6313896 0.78 CYP2A6 (0.43) IMPDH2IMPDH1CA2CA1CYP2A6
SCHEMBL6212888 0.78 TRPV4 (0.44) IMPDH2IMPDH1CA2CA1
SCHEMBL3027684 0.76 IMPDH2 (0.42) IMPDH2IMPDH1STSCA2CA1
SCHEMBL7171797 0.75
SCHEMBL3032205 0.74 IMPDH2 (0.41) IMPDH2IMPDH1STSCA2CA1
SCHEMBL2094281 0.74 ALDH1A1 (0.40) IMPDH2IMPDH1STSCYP2A6ALDH1A1
SCHEMBL2094284 0.74 ALDH1A1 (0.63) IMPDH2IMPDH1ALDH1A1ESRRAMAOA
SCHEMBL25418472 0.73 STS (0.50) IMPDH2IMPDH1STSCA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108424431-A The preparation method of alpha- uridines 上海兆维科技发展有限公司 2018-08-21 CN disclosed
US-4514401-A CARDIOTONICS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1985-04-30 US disclosed
US-4487772-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO. LTD. (JP) 1984-12-11 US disclosed
US-4468402-A Carbostyril derivatives, process for producing the same and cardiotonic compositions containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-08-28 US disclosed
US-4454130-A CARDIOTONIC, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-12 US disclosed
US-4415572-A CARDIOTONIC AND INOTROPIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1983-11-15 US disclosed