SCHEMBL9580395

SCHEMBL9580395

O=C(O)c1cc(-c2ccc(-c3ccc(Br)cc3)cc2)nc2ccc(CF)cc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPRS1 P07814 4/20 0.67
▸ DHODH Q02127 5/20 0.58
▸ HIF1A Q16665 2/20 0.56
▸ HSD17B10 Q99714 2/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ PTGES O14684 1/20 0.56
▸ ALOX5 P09917 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ CASP7 P55210 1/20 0.56
▸ TP53 P04637 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ GAA P10253 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ MC4R P32245 1/20 0.52
▸ PPARG P37231 1/20 0.52
▸ KMT2A Q03164 1/20 0.52

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
SCHEMBL117430 0.84 EPRS1 (0.79) EPRS1DHODHHIF1AHSD17B10ALDH1A1
SCHEMBL5792900 0.82 DHODH (0.78) EPRS1DHODHHIF1AHSD17B10ALDH1A1
SCHEMBL18320678 0.81 DHODH (0.70) EPRS1DHODHHIF1AHSD17B10ALDH1A1
SCHEMBL12237494 0.80 RXFP1 (0.75) EPRS1DHODHHIF1AHSD17B10ALDH1A1
SCHEMBL117405 0.79 EPRS1 (0.71) EPRS1DHODHHIF1AHSD17B10ALDH1A1
SCHEMBL117422 0.79 PTGES (0.84) EPRS1DHODHHIF1AHSD17B10ALDH1A1
SCHEMBL117388 0.79 EPRS1 (1.00) EPRS1DHODHHIF1AHSD17B10ALDH1A1
SCHEMBL5530291 0.78 EPRS1 (0.85) EPRS1DHODHHIF1AHSD17B10ALDH1A1
SCHEMBL1899098 0.77 RXFP1 (0.79) EPRS1DHODHHIF1AHSD17B10ALDH1A1
SCHEMBL29788463 0.77 DHODH (0.80) EPRS1DHODHTP53KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5204329-A 4-Quinoline carboxylic acid derivatives DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-04-20 — — US claimed
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