SCHEMBL9806325

SCHEMBL9806325

COc1ccc2c(C#N)cccc2c1I

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.62
IMPDH1 P20839 1/20 0.62
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 2/20 0.39
POLB P06746 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
PNMT P11086 1/20 0.38
AR P10275 3/20 0.37
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
DYRK1A Q13627 1/20 0.37
CYP3A4 P08684 1/20 0.36
ESRRA P11474 1/20 0.36
MAPT P10636 2/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 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
SCHEMBL26259612 0.81 IMPDH2 (0.64) IMPDH2IMPDH1ALDH1A1KDM4EUSP2
SCHEMBL20200257 0.80 POLB (0.49) IMPDH2IMPDH1ALDH1A1KDM4EUSP2
SCHEMBL2987592 0.80 IMPDH2 (0.79) IMPDH2IMPDH1ALDH1A1KDM4EUSP2
SCHEMBL9575280 0.80 IMPDH2 (0.62) IMPDH2IMPDH1ALDH1A1KDM4EUSP2
SCHEMBL589078 0.77 IMPDH2 (1.00) IMPDH2IMPDH1ALDH1A1KDM4EUSP2
SCHEMBL9575279 0.76 IMPDH2 (0.57) IMPDH2IMPDH1ALDH1A1KDM4EUSP2
SCHEMBL9806302 0.74 IMPDH2 (0.54) IMPDH2IMPDH1ALDH1A1KDM4EUSP2
SCHEMBL9746966 0.73 PNMT (0.52) IMPDH2IMPDH1ALDH1A1KDM4EGAA
SCHEMBL29489124 0.73 CA1 (0.54) IMPDH2IMPDH1ALDH1A1KDM4EGAA
SCHEMBL45954 0.73 CA1 (0.54) IMPDH2IMPDH1ALDH1A1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4822904-A Perfluoroalkylation process ETHYL CORPORATION (US) 1989-04-18 US claimed
US-4590010-A Substituted naphthoic acid process ETHYL CORPORATION (US) 1986-05-20 US claimed
EP-0199646-B1 PROCESS FOR PREPARING 6-ALKOXY-5-TRIFLUOROMETHYL-1-NAPHTOIC ACIDS AND NOVEL 1-CYANO-NAPHTALENE INTERMEDIATES ETHYL CORPORATION (US) 1991-09-11 EP disclosed
EP-0307519-B1 Perfluoroalkylation process ETHYL CORPORATION (US) 1991-04-17 EP disclosed
EP-0307519-A1 Perfluoroalkylation process ETHYL CORPORATION (US) 1989-03-22 EP disclosed
EP-0304521-A1 Perfluoroalkylnaphthalene compounds their preparation and use ETHYL CORPORATION (US) 1989-03-01 EP disclosed
US-4808748-A Trifluoromethylation process ETHYL CORPORATION (US) 1989-02-28 US disclosed
US-4699993-A Perfluoroalkylnaphthalene compounds ETHYL CORPORATION (US) 1987-10-13 US disclosed
EP-0199646-A2 Process for preparing 6-alkoxy-5-trifluoromethyl-1-naphtoic acids and novel 1-cyano-naphtalene intermediates ETHYL CORPORATION (US) 1986-10-29 EP disclosed
US-4590010-A Substituted naphthoic acid process ETHYL CORPORATION (US) 1986-05-20 US disclosed