SCHEMBL9636181

SCHEMBL9636181

O=C(O)Oc1cn(C2CC2)c2c(Cl)c(N3CCNCC3)c(Cl)cc2c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
POLB P06746 2/20 0.44
OPRM1 P35372 2/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
OPRD1 P41143 1/20 0.44
TOP2A P11388 6/20 0.41
TOP2B Q02880 5/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
KCNH2 Q12809 5/20 0.40
PRKD3 O94806 1/20 0.40
ALOX15 P16050 1/20 0.40
CLK2 P49760 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL10509964 0.90 TOP2A (0.44) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9340539 0.90 ALDH1A1 (0.56) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL10647297 0.88 ALDH1A1 (0.44) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL10508745 0.88 ALDH1A1 (0.54) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL8433198 0.87 ALDH1A1 (0.58) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9635066 0.86 ALDH1A1 (0.43) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL10874855 0.82 ALDH1A1 (0.42) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9634951 0.82 ALDH1A1 (0.51) ALDH1A1POLBOPRM1CHRM2CHRM1
Hydrochloric Acid SCHEMBL10501517 0.81 ALDH1A1 (0.51) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL10809596 0.81 KDM4E (0.58) ALDH1A1TOP2ATOP2BKDM4EHPGD

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 8 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
EP-0164619-A1 2,4,5-Trihalo or 2,3,4,5-tetrahalo benzene derivatives and process for producing them BAYER AG (DE) 1985-12-18 EP disclosed