SCHEMBL9575280

SCHEMBL9575280

COc1ccc2c(C#N)cccc2c1Br

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.62
IMPDH1 P20839 1/20 0.62
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 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
EGFR P00533 3/20 0.38
ERBB2 P04626 2/20 0.37
AR P10275 2/20 0.37
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
CYP19A1 P11511 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
NR3C1 P04150 1/20 0.37

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) IMPDH2IMPDH1KDM4EALDH1A1USP2
SCHEMBL16428549 0.80 POLB (0.49) IMPDH2IMPDH1KDM4EALDH1A1USP2
SCHEMBL2987592 0.80 IMPDH2 (0.79) IMPDH2IMPDH1KDM4EALDH1A1USP2
SCHEMBL9806325 0.80 IMPDH2 (0.62) IMPDH2IMPDH1KDM4EALDH1A1USP2
SCHEMBL17086891 0.78 CYP19A1 (0.45) ALDH1A1ACHECYP19A1CYP11B1CYP11B2
SCHEMBL9806302 0.77 IMPDH2 (0.54) IMPDH2IMPDH1KDM4EALDH1A1USP2
SCHEMBL589078 0.77 IMPDH2 (1.00) IMPDH2IMPDH1KDM4EALDH1A1USP2
SCHEMBL9575279 0.76 IMPDH2 (0.57) IMPDH2IMPDH1KDM4EALDH1A1USP2
SCHEMBL3948263 0.75 IMPDH2 (0.44) IMPDH2IMPDH1KDM4EALDH1A1USP2
SCHEMBL38659237 0.75 CYP19A1 (0.44) ALDH1A1ACHECYP19A1CYP11B1CYP11B2

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0281315-B1 (TRIFLUOROMETHYL) NAPHTHALENE RECOVERY PROCESS ETHYL CORPORATION (US) 1993-06-23 EP 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 claimed
US-4824989-A TRIFLUOROMETHYLNAPHTHALENE FROM HALONAPHTHALENE AND TRIFLUOROACETATE ETHYL CORPORATION (US) 1989-04-25 US claimed
US-4824988-A Process for recovering cuprous iodide catalyst used in synthesis of (trifluoromethyl)napthalenes ETHYL CORPORATION (US) 1989-04-25 US claimed
US-4822904-A Perfluoroalkylation process ETHYL CORPORATION (US) 1989-04-18 US claimed
US-4785131-A Substituted cyanonaphthalene process ETHYL CORPORATION (US) 1988-11-15 US claimed
EP-0281315-A2 (Trifluoromethyl) naphthalene recovery process ETHYL CORPORATION (US) 1988-09-07 EP claimed
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 claimed
US-4590010-A Substituted naphthoic acid process ETHYL CORPORATION (US) 1986-05-20 US claimed
EP-0281315-B1 (TRIFLUOROMETHYL) NAPHTHALENE RECOVERY PROCESS ETHYL CORPORATION (US) 1993-06-23 EP disclosed
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-0245679-B1 DEHALOGENATION PROCESS ETHYL CORPORATION (US) 1991-03-13 EP disclosed
US-4889951-A Perfluoroalkylation process ETHYL CORPORATION (US) 1989-12-26 US disclosed
EP-0268662-A1 HOMOGENEOUS COPOLYMERIZATION OF NON-POLAR MONOMERS WITH IONIC AMPHIPHILIC MONOMERS. DOW CHEMICAL CO (US) 1988-06-01 EP disclosed
WO-1987007621-A1 HOMOGENEOUS COPOLYMERIZATION OF NON-POLAR MONOMERS WITH IONIC AMPHIPHILIC MONOMERS THE DOW CHEMICAL COMPANY (US) 1987-12-17 WO disclosed
EP-0245679-A2 Dehalogenation process ETHYL CORPORATION (US) 1987-11-19 EP 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