SCHEMBL9626417

SCHEMBL9626417

O=C(O)Oc1cn(C2CC2F)c2c(F)c(N3CCNCC3)c(F)cc2c1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.43
HPGD P15428 8/20 0.43
HSD17B10 Q99714 8/20 0.43
ALDH1A1 P00352 7/20 0.43
PMP22 Q01453 1/20 0.42
TOP2A P11388 5/20 0.40
TOP2B Q02880 4/20 0.40
POLB P06746 2/20 0.40
PRKD3 O94806 1/20 0.40
ALOX15 P16050 1/20 0.40
OPRM1 P35372 1/20 0.40
CLK2 P49760 1/20 0.40
KCNH2 Q12809 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 4/20 0.40
CYP2C9 P11712 2/20 0.40
CYP1A2 P05177 1/20 0.40
TOP1 P11387 1/20 0.40
BRD4 O60885 1/20 0.38

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
SCHEMBL9627925 0.91 KDM4E (0.42) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL9626257 0.91 ALDH1A1 (0.35) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL9634951 0.88 ALDH1A1 (0.51) KDM4EHPGDHSD17B10ALDH1A1PMP22
Hydrochloric Acid SCHEMBL10501517 0.87 ALDH1A1 (0.51) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL10862601 0.87 KDM4E (0.54) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL9626416 0.87 KDM4E (0.54) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL9627124 0.86 KDM4E (0.42) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL9627091 0.86 KDM4E (0.42) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL9236365 0.83 TOP2A (0.38) KDM4EALDH1A1TOP2ATOP2BPOLB
SCHEMBL9047223 0.83 TOP2A (0.38) KDM4EALDH1A1TOP2ATOP2BPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0198192-B1 7-AMINO-1-(SUBST.CYCLOPROPYL)-1,4 -DIHYDRO-4-OXO-QUINOLINE CARBOXYLIC ACIDS, METHOD FOR THEIR PREPARATION, AND ANTIBACTERIAL AGENTS CONTAINING THEM BAYER AG (DE) 1992-05-13 EP claimed
EP-0198192-A1 7-Amino-1-(subst.cyclopropyl)-1,4 -dihydro-4-oxo-quinoline carboxylic acids, method for their preparation, and antibacterial agents containing them BAYER AG (DE) 1986-10-22 EP claimed
EP-0198192-B1 7-AMINO-1-(SUBST.CYCLOPROPYL)-1,4 -DIHYDRO-4-OXO-QUINOLINE CARBOXYLIC ACIDS, METHOD FOR THEIR PREPARATION, AND ANTIBACTERIAL AGENTS CONTAINING THEM BAYER AG (DE) 1992-05-13 EP disclosed
EP-0198192-A1 7-Amino-1-(subst.cyclopropyl)-1,4 -dihydro-4-oxo-quinoline carboxylic acids, method for their preparation, and antibacterial agents containing them BAYER AG (DE) 1986-10-22 EP disclosed