SCHEMBL6036822

SCHEMBL6036822

O=C(O)Oc1cc(F)c(Cl)nc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.59
▸ NFE2L2 Q16236 1/20 0.59
▸ KMO O15229 3/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ DHODH Q02127 1/20 0.31
▸ SCN9A Q15858 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ASPH Q12797 1/20 0.31
▸ KDM8 Q8N371 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MAPT P10636 2/20 0.31
▸ HTT P42858 1/20 0.31
▸ MRGPRX4 Q96LA9 1/20 0.31
▸ PPARG P37231 1/20 0.30
▸ PPARA Q07869 1/20 0.30
▸ ALPL P05186 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ POLB P06746 1/20 0.30

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
SCHEMBL9687533 0.85 KEAP1 (0.55) KEAP1NFE2L2CASP1SCN9AALDH1A1
SCHEMBL28553772 0.84 KEAP1 (0.53) KEAP1NFE2L2CASP1SCN9APOLB
SCHEMBL29744459 0.75 KEAP1 (1.00) KEAP1NFE2L2KMOCASP1DHODH
SCHEMBL113812 0.75 KEAP1 (1.00) KEAP1NFE2L2KMOCASP1DHODH
Hydrochloric Acid SCHEMBL919985 0.73 KEAP1 (0.96) KEAP1NFE2L2KMOCASP1DHODH
SCHEMBL31048928 0.71 KEAP1 (0.71) KEAP1NFE2L2KMOCASP1ALDH1A1
SCHEMBL919984 0.71 KEAP1 (0.71) KEAP1NFE2L2KMOCASP1ALDH1A1
SCHEMBL1723471 0.70 MAPT (0.46) ALDH1A1KDM4ESMN1; SMN2MAPTHTT
SCHEMBL29260193 0.70 KEAP1 (0.56) KEAP1NFE2L2
SCHEMBL3656329 0.69 TDP1 (0.39) KEAP1NFE2L2CASP1ALDH1A1MAPK1

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 6 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
EP-1185869-B1 LIGAND-ANCHOR CONJUGATES FOR PRODUCING A BIOSENSOR LAYER GRAFFINITY PHARMACEUTICALS AG (DE) 2006-07-26 — — EP disclosed
EP-1185869-A2 LIGAND-ANCHOR CONJUGATES FOR PRODUCING A BIOSENSOR LAYER Graffinity Pharmaceutical Design GmbH (DE) 2002-03-13 — — EP disclosed
WO-2000073796-A2 LIGAND-ANCHOR CONJUGATES FOR PRODUCING A BIOSENSOR LAYER GRAFFINITY PHARMACEUTICAL DESIGN GMBH (DE) 2000-12-07 — — WO 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-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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