SCHEMBL9238604

SCHEMBL9238604

O=C(O)Oc1cn([C@@H]2C[C@H]2F)c2c(Cl)c(F)c(F)cc2c1=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
TOP2A P11388 7/20 0.34
TOP2B Q02880 7/20 0.34
CYP3A4 P08684 3/20 0.33
CYP2C9 P11712 2/20 0.33
KDM4E B2RXH2 4/20 0.31
HSP90AA1 P07900 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
TOP1 P11387 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
CYP1A2 P05177 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
SCHEMBL9044990 1.00 ALDH1A1 (0.39) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL5277397 1.00 ALDH1A1 (0.39) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL5278404 1.00 ALDH1A1 (0.39) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL8134170 0.94 ALDH1A1 (0.36) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL9236365 0.90 TOP2A (0.38) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL7607385 0.90 TOP2A (0.38) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL9047223 0.90 TOP2A (0.38) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL9236242 0.89 TOP2A (0.37) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL8133058 0.89 TOP2A (0.37) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL8138663 0.87 TOP2A (0.34) ALDH1A1POLBCHRM2CHRM1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0653425-A1 1-(2-Fluorocyclopropyl)-quinolone- and naphthyridone carboxylic acid derivatives, their preparation and their use as antibacterials BAYER AG (DE) 1995-05-17 EP claimed
EP-0626993-A4 FUEL ADDITIVE COMPOSITIONS CONTAINING POLY(OXYALKYLENE) HYDROXYAROMATIC ETHERS AND POLY(OXYALKYLENE) AMINES. CHEVRON RES & TECH (US) 1995-08-16 EP disclosed
EP-0653425-A1 1-(2-Fluorocyclopropyl)-quinolone- and naphthyridone carboxylic acid derivatives, their preparation and their use as antibacterials BAYER AG (DE) 1995-05-17 EP disclosed
EP-0626993-A1 FUEL ADDITIVE COMPOSITIONS CONTAINING POLY(OXYALKYLENE) HYDROXYAROMATIC ETHERS AND POLY(OXYALKYLENE) AMINES CHEVRON CHEMICAL COMPANY (US) 1994-12-07 EP disclosed
WO-1994014927-A1 FUEL ADDITIVE COMPOSITIONS CONTAINING POLY(OXYALKYLENE) HYDROXYAROMATIC ETHERS AND POLY(OXYALKYLENE) AMINES CHEVRON RESEARCH AND TECHNOLOGY COMPANY, A DIVISION OF CHEVRON U.S.A. INC. (US) 1994-07-07 WO disclosed