SCHEMBL9636153

SCHEMBL9636153

O=C(O)Oc1cn(C2CC2)c2c(Cl)c(N3CCNC(c4ccccc4)C3)c(F)cc2c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
POLB P06746 3/20 0.53
OPRM1 P35372 2/20 0.53
CHRM2 P08172 1/20 0.53
CHRM1 P11229 1/20 0.53
OPRD1 P41143 1/20 0.53
KDM4E B2RXH2 10/20 0.49
HPGD P15428 7/20 0.49
HSD17B10 Q99714 5/20 0.49
KCNH2 Q12809 4/20 0.49
TDP1 Q9NUW8 2/20 0.49
PRKD3 O94806 1/20 0.49
ALOX15 P16050 1/20 0.49
CLK2 P49760 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PMP22 Q01453 1/20 0.39
LMNA P02545 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL10863653 0.92 KDM4E (0.53) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9671706 0.91 ALDH1A1 (0.49) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9634837 0.90 ALDH1A1 (0.49) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9670909 0.89 KDM4E (0.51) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL8434121 0.89 ALDH1A1 (0.67) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9636182 0.88 KDM4E (0.56) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL10510794 0.88 KDM4E (0.64) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9626229 0.85 ALDH1A1 (0.40) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9340539 0.84 ALDH1A1 (0.56) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9636155 0.84 ALDH1A1 (0.43) ALDH1A1POLBOPRM1CHRM2CHRM1

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-0337231-B1 I. M. INJECTION FORMS OF GYRASE-INHIBITORS BAYER AG (DE) 1992-06-17 EP disclosed
EP-0274033-B1 PROCESS FOR THE PREPARATION OF QUINOLINECARBOXYLIC ACIDS BAYER AG (DE) 1992-03-11 EP disclosed
EP-0337231-A2 I. M. injection forms of gyrase-inhibitors BAYER AG (DE) 1989-10-18 EP disclosed
EP-0164619-B1 2,4,5-TRIHALO OR 2,3,4,5-TETRAHALO BENZENE DERIVATIVES AND PROCESS FOR PRODUCING THEM BAYER AG (DE) 1988-10-12 EP disclosed
EP-0167763-B1 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) 1988-08-03 EP disclosed
EP-0274033-A1 Process for the preparation of quinolinecarboxylic acids BAYER AG (DE) 1988-07-13 EP disclosed
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 disclosed