SCHEMBL7906403

SCHEMBL7906403

Fc1cc(C(Cl)(Cl)Cl)c(Cl)nc1Cl

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.44
▸ NFE2L2 Q16236 1/20 0.44
▸ CYP3A4 P08684 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31

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
SCHEMBL10748579 0.83 CYP3A4 (0.39) CYP3A4TSHRMAPK1TDP1
SCHEMBL9938916 0.82 KEAP1 (0.44) KEAP1NFE2L2CYP11B1CYP11B2
SCHEMBL29448446 0.82 KEAP1 (0.44) KEAP1NFE2L2CYP11B1CYP11B2
SCHEMBL29260193 0.77 KEAP1 (0.56) KEAP1NFE2L2TDP1
SCHEMBL8339603 0.76 TSHR (0.39) CYP3A4TSHRMAPK1TDP1
SCHEMBL8778861 0.73 CYP3A4 (0.32) CYP3A4TSHRMAPK1TDP1
SCHEMBL6222738 0.70 KEAP1 (0.50) KEAP1NFE2L2TDP1CYP11B1CYP11B2
SCHEMBL7057611 0.69 TSHR (0.46) CYP3A4TSHRMAPK1TDP1
SCHEMBL30409600 0.67 CYP3A4 (0.33) CYP3A4TSHRMAPK1TDP1
SCHEMBL8975115 0.67 CYP3A4 (0.33) CYP3A4TSHRMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0187376-A2 6,7-Disubstituted 1-cyclopropyl-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acids BAYER AG (DE) 1986-07-16 — — EP claimed
US-6197964-B1 CHLORINATION USING BASIC CATALYST; DESALTING, HYDROLYSIS BAYER AKTIENGESELLSCHAFT (DE) 2001-03-06 — — US disclosed
EP-0973745-A1 METHOD FOR THE PRODUCTION OF 2,6-DICHLORO-5-FLUORONICOTINONITRILE AND THE CHEMICAL COMPOUND 3-CYANO-2-HYDROXY-5-FLUOROPYRIDE-6-ONE-MONOSODIUM SALT AND ITS TAUTOMERS BAYER AG (DE) 2000-01-26 — — EP disclosed
WO-1998043958-A1 METHOD FOR THE PRODUCTION OF 2,6-DICHLORO-5-FLUORONICOTINONITRILE AND THE CHEMICAL COMPOUND 3-CYANO-2-HYDROXY-5-FLUOROPYRIDE-6-ONE-MONOSODIUM SALT AND ITS TAUTOMERS BAYER AKTIENGESELLSCHAFT (DE) 1998-10-08 — — WO disclosed
EP-0700903-B1 PROCESS FOR PRODUCING CYANOPYRIDINE IHARA CHEMICAL IND CO (JP) 1997-11-12 — — EP disclosed
US-5675012-A REACTING AMMONIUM HALIDE WITH TRICHLOROMETHYLPYRIDINE IN PRESENCE OF A COPPER AND ZINC COMPOUND IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1997-10-07 — — US disclosed
EP-0700903-A1 PROCESS FOR PRODUCING CYANOPYRIDINE IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1996-03-13 — — EP disclosed
EP-0187376-B1 6,7-DISUBSTITUTED 1-CYCLOPROPYL-1,4-DIHYDRO-4-OXO-1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACIDS BAYER AG (DE) 1992-05-13 — — EP disclosed
EP-0333020-A2 Process for the preparation of substituted pyridines ABBOTT LABORATORIES (US) 1989-09-20 — — EP disclosed
US-4840954-A BACTERICIDE BAYER AKTIENGESELLSCHAFT (DE) 1989-06-20 — — US disclosed
EP-0187376-A2 6,7-Disubstituted 1-cyclopropyl-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acids BAYER AG (DE) 1986-07-16 — — EP disclosed
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