SCHEMBL9686323

SCHEMBL9686323

CCOC(=O)C(C(=O)OCC)C(=O)c1cc(F)c(Cl)nc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.51
NFE2L2 Q16236 1/20 0.51
CASP1 P29466 2/20 0.36
TSHR P16473 2/20 0.35
MAPT P10636 3/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 2/20 0.34
ALPL P05186 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
JMJD6 Q6NYC1 1/20 0.34
HTT P42858 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.32

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
SCHEMBL10502237 0.91 KEAP1 (0.43) KEAP1NFE2L2CASP1TSHRMAPT
SCHEMBL860929 0.82 KEAP1 (0.57) KEAP1NFE2L2CASP1TSHRNPC1
SCHEMBL6170105 0.81 KEAP1 (0.47) KEAP1NFE2L2CASP1TSHRMAPT
SCHEMBL9221236 0.81 HPGD (0.48) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL9805883 0.79 SMN1; SMN2 (0.41) TSHRMAPTKMT2ASMN1; SMN2LMNA
SCHEMBL10501891 0.79 KEAP1 (0.66) KEAP1NFE2L2CASP1ALPL
SCHEMBL8871815 0.78 GPR35 (0.35) TSHRMAPTKMT2ASMN1; SMN2LMNA
SCHEMBL10616453 0.78 GPR35 (0.35) TSHRMAPTKMT2ASMN1; SMN2LMNA
SCHEMBL10472145 0.78 WDR5 (0.35) TSHRMAPTKMT2ANPC1SMN1; SMN2
SCHEMBL28599872 0.78 DHODH (0.37) KEAP1NFE2L2CASP1MAPTKMT2A

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
JP-61072753-A None JP 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-0191451-B1 NOVEL 1,8-NAPHTHYRIDINE DERIVATIVES AND PROCESSES FOR PREPARATION THEREOF Dainippon Pharmaceutical Co., Ltd. (JP) 1989-08-02 EP disclosed
US-4738968-A 1,8-naphthyridine derivatives useful as anti-bacterial agents DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1988-04-19 US disclosed
EP-0132845-B1 NOVEL 1,8-NAPHTHYRIDINE DERIVATIVES, AND PROCESS FOR PREPARATION THEREOF Dainippon Pharmaceutical Co., Ltd. (JP) 1988-04-13 EP disclosed
US-4649144-A Antibacterial 7-(3-amino-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid derivatives DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1987-03-10 US disclosed
EP-0191451-A1 Novel 1,8-naphthyridine derivatives and processes for preparation thereof Dainippon Pharmaceutical Co., Ltd. (JP) 1986-08-20 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
JP-S6172753-A PYRIDYL KETONE DERIVATIVE DAINIPPON PHARMACEUT CO LTD 1986-04-14 JP disclosed
EP-0132845-A2 Novel 1,8-Naphthyridine derivatives, and process for preparation thereof Dainippon Pharmaceutical Co., Ltd. (JP) 1985-02-13 EP disclosed