SCHEMBL9575279

SCHEMBL9575279

COc1ccc2c(C#N)cccc2c1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.57
IMPDH1 P20839 1/20 0.57
AKR1B10 O60218 1/20 0.47
AKR1A1 P14550 1/20 0.47
AKR1B1 P15121 1/20 0.47
AR P10275 9/20 0.45
PGR P06401 4/20 0.41
NR3C1 P04150 2/20 0.39
NR3C2 P08235 2/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
USP2 O75604 1/20 0.38
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL9806302 0.88 IMPDH2 (0.54) IMPDH2IMPDH1AKR1B10AKR1A1AKR1B1
SCHEMBL31023997 0.82 AR (0.54) IMPDH2IMPDH1ARPGRMAOA
SCHEMBL26259612 0.78 IMPDH2 (0.64) IMPDH2IMPDH1ARKDM4EALDH1A1
SCHEMBL9489666 0.78 AKR1B10 (0.48) AKR1B10AKR1A1AKR1B1ARPGR
SCHEMBL2987592 0.77 IMPDH2 (0.79) IMPDH2IMPDH1ARKDM4EALDH1A1
SCHEMBL9575280 0.76 IMPDH2 (0.62) IMPDH2IMPDH1ARPGRNR3C1
SCHEMBL10677181 0.76 IDO1 (0.53) AKR1B10AKR1A1AKR1B1KDM4EALDH1A1
SCHEMBL9806325 0.76 IMPDH2 (0.62) IMPDH2IMPDH1ARKDM4EALDH1A1
SCHEMBL7089898 0.76 AKR1B10 (0.47) AKR1B10AKR1A1AKR1B1KDM4EALDH1A1
SCHEMBL589078 0.73 IMPDH2 (1.00) IMPDH2IMPDH1ARPGRNR3C1

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 23 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
EP-0281315-A2 (Trifluoromethyl) naphthalene recovery process ETHYL CORPORATION (US) 1988-09-07 EP claimed
US-4629808-A Process for hydrolyzing nitriles ETHYL CORPORATION (US) 1986-12-16 US 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-0245679-B1 DEHALOGENATION PROCESS ETHYL CORPORATION (US) 1991-03-13 EP disclosed
US-4824989-A TRIFLUOROMETHYLNAPHTHALENE FROM HALONAPHTHALENE AND TRIFLUOROACETATE ETHYL CORPORATION (US) 1989-04-25 US disclosed
US-4824988-A Process for recovering cuprous iodide catalyst used in synthesis of (trifluoromethyl)napthalenes ETHYL CORPORATION (US) 1989-04-25 US disclosed
US-4814497-A Dehalogenation process ETHYL CORPORATION (US) 1989-03-21 US disclosed
EP-0281315-A2 (Trifluoromethyl) naphthalene recovery process ETHYL CORPORATION (US) 1988-09-07 EP disclosed
EP-0245679-A2 Dehalogenation process ETHYL CORPORATION (US) 1987-11-19 EP disclosed
US-4629808-A Process for hydrolyzing nitriles ETHYL CORPORATION (US) 1986-12-16 US disclosed
US-4629808-A Process for hydrolyzing nitriles ETHYL CORPORATION (US) 1986-12-16 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