SCHEMBL5163660

SCHEMBL5163660

O=C(Oc1c[nH]c2c(Cl)c(F)c(F)cc2c1=O)OC1CC1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 2/20 0.34
CSNK2B P67870 2/20 0.34
CSNK2A1 P68400 2/20 0.34
LMNA P02545 2/20 0.33
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 2/20 0.32
HPGD P15428 1/20 0.32
GUSB P08236 2/20 0.31
GPR35 Q9HC97 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
TNF P01375 1/20 0.30
CNR2 P34972 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
SCHEMBL10975548 0.91 CSNK2A2 (0.34) CSNK2A2CSNK2BCSNK2A1ALDH1A1KMT2A
SCHEMBL8318286 0.90 LMNA (0.35) LMNAALDH1A1KMT2AKDM4ECYP1A2
SCHEMBL10875199 0.89 ALDH1A1 (0.32) CSNK2A2CSNK2BCSNK2A1LMNAALDH1A1
SCHEMBL5164174 0.87 CSNK2A2 (0.33) CSNK2A2CSNK2BCSNK2A1LMNAALDH1A1
SCHEMBL10866135 0.85 LMNA (0.32) CSNK2A2CSNK2BCSNK2A1LMNAALDH1A1
SCHEMBL5166402 0.84
SCHEMBL10975748 0.84 ALDH1A1 (0.36) LMNAALDH1A1KMT2AKDM4EHPGD
SCHEMBL8319010 0.83
SCHEMBL10873921 0.82
SCHEMBL10747641 0.81 ALDH1A1 (0.40) LMNAALDH1A1KDM4EHPGDCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0167763-A1 7-Amino-1-cyclopropyl-6,8-dihalo-1,4-dihydro-4-oxo-3-quinoline-carboxylic acids, process for their preparation and bactericidal agents containing them BAYER AG (DE) 1986-01-15 EP claimed
EP-1768973-A1 SUBSTITUTED QUINOLONES AiCuris GmbH & Co. KG (DE) 2007-04-04 EP disclosed
WO-2006008046-A1 SUBSTITUTED QUINOLONES AICURIS GMBH & CO. KG (DE) 2006-01-26 WO disclosed
EP-0907648-A1 QUINOLONE CARBOXYLIC ACIDS SUBSTITUTED BY 7-(3-VINYL-1,4-PIPERAZINE-1-YL) BAYER AG (DE) 1999-04-14 EP disclosed
WO-1998000421-A1 QUINOLONE CARBOXYLIC ACIDS SUBSTITUTED BY 7-(3-VINYL-1,4-PIPERAZINE-1-YL) BAYER AKTIENGESELLSCHAFT (DE) 1998-01-08 WO disclosed
EP-0235676-A2 7-(1-Pyrrolidinyl)quinolone-carboxylic-acid derivatives BAYER AG (DE) 1987-09-09 EP disclosed
EP-0203488-A2 7-Azolyl-1-cyclopropyl-1,4-dihydro-4-oxo-3-quinoline carboxylic acids and 1,8-naphthyridine carboxylic acids, process for their preparation and bactericidal agents containing them BAYER AG (DE) 1986-12-03 EP disclosed