SCHEMBL11228244

SCHEMBL11228244

N#Cc1ccc(C#N)c2ccccc12.N#Cc1cccc2c(C#N)cccc12

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 3/20 0.59
▸ IMPDH1 P20839 2/20 0.59
▸ CA1 P00915 1/20 0.56
▸ CA2 P00918 1/20 0.56
▸ AR P10275 6/20 0.53
▸ TSHR P16473 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ PNMT P11086 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ CYP19A1 P11511 1/20 0.43
▸ NCOA3 Q9Y6Q9 1/20 0.42

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
SCHEMBL29489124 0.94 CA1 (0.54) IMPDH2IMPDH1CA1CA2AR
SCHEMBL29489135 0.94 IMPDH2 (0.64) IMPDH2IMPDH1CA1CA2AR
SCHEMBL151936 0.94 IMPDH2 (0.64) IMPDH2IMPDH1CA1CA2AR
SCHEMBL45954 0.94 CA1 (0.54) IMPDH2IMPDH1CA1CA2AR
SCHEMBL11193357 0.92 IMPDH2 (0.61) IMPDH2IMPDH1CA1CA2AR
SCHEMBL9746966 0.89 PNMT (0.52) IMPDH2IMPDH1CA1CA2AR
SCHEMBL16917824 0.86 IMPDH2 (0.57) IMPDH2IMPDH1CA1CA2AR
SCHEMBL17540561 0.85 IMPDH2 (0.52) IMPDH2IMPDH1CA1CA2AR
SCHEMBL59702 0.84 CA1 (0.69) IMPDH2IMPDH1CA1CA2TSHR
SCHEMBL11200010 0.84 IMPDH2 (0.55) IMPDH2IMPDH1CA1CA2AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0046398-A2 Electrostatographic developer composition XEROX CORPORATION (US) 1982-02-24 — — EP disclosed
US-4312932-A RESIN PARTICLES CONTAINING UP TO FOUR PIGMENTS AND SINGLE CARRIER XEROX CORPORATION (US) 1982-01-26 — — US disclosed
US-4063946-A Electrophotographic color reproduction process employing photoconductive material with dual light fatigue properties RANK XEROX LTD. (EN) 1977-12-20 — — US disclosed
US-3963486-A Electrophotographic imaging process employing epoxy-ester containing liquid developer RANK XEROX LTD. (EN) 1976-06-15 — — US disclosed
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