SCHEMBL9626565

SCHEMBL9626565

O=C(O)c1cn(C2CC2(F)F)c2c(F)c(N3CCNCC3)c(Cl)cc2c1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.46
ALDH1A1 P00352 8/20 0.46
HPGD P15428 7/20 0.46
HSD17B10 Q99714 7/20 0.46
TOP2A P11388 5/20 0.46
TOP2B Q02880 4/20 0.46
LMNA P02545 4/20 0.46
CYP2C9 P11712 2/20 0.46
CYP1A2 P05177 1/20 0.46
PMP22 Q01453 1/20 0.42
POLB P06746 3/20 0.42
OPRM1 P35372 2/20 0.42
PRKD3 O94806 1/20 0.42
ALOX15 P16050 1/20 0.42
CLK2 P49760 1/20 0.42
KCNH2 Q12809 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
BRD4 O60885 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL9545860 0.90 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10TOP2A
SCHEMBL9626544 0.89 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10TOP2A
SCHEMBL9626979 0.88 KDM4E (0.35) KDM4EALDH1A1HPGDHSD17B10TOP2A
SCHEMBL8433503 0.87 TOP2A (0.58) KDM4EALDH1A1HPGDHSD17B10TOP2A
SCHEMBL9626249 0.85 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10TOP2A
SCHEMBL9626483 0.84 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10TOP2A
SCHEMBL9626958 0.80 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10TOP2A
SCHEMBL10745550 0.79 KDM4E (0.69) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL10749384 0.79 KDM4E (0.65) KDM4EALDH1A1HPGDHSD17B10TOP2A
SCHEMBL9627124 0.78 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10TOP2A

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
US-4705788-A Novel antibacterial 7-amino-1(substituted cyclopropyl)-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids BAYER AKTIENGESELLSCHAFT (DE) 1987-11-10 US 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
US-4705788-A Novel antibacterial 7-amino-1(substituted cyclopropyl)-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids BAYER AKTIENGESELLSCHAFT (DE) 1987-11-10 US disclosed