SCHEMBL9634933

SCHEMBL9634933

CCCN1CCN(c2c(C(=O)O)c(=O)c3cc(F)cc(F)c3n2C2CC2)CC1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.38
GSK3A P49840 2/20 0.38
GSK3B P49841 2/20 0.38
PIM3 Q86V86 2/20 0.38
CSNK1G1 Q9HCP0 1/20 0.38
KDM4E B2RXH2 7/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.37
ALDH1A1 P00352 4/20 0.36
LMNA P02545 3/20 0.36
HPGD P15428 3/20 0.36
TDP1 Q9NUW8 2/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPT P10636 1/20 0.35
CYP2C19 P33261 1/20 0.35
KCNH2 Q12809 1/20 0.35
PRKD3 O94806 1/20 0.35
IRAK1 P51617 1/20 0.35

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
SCHEMBL9634939 0.89 KDM4E (0.36) KDM4ESMN1; SMN2CYP1A2ALDH1A1LMNA
SCHEMBL9244385 0.79 KCNH2 (0.41) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9249913 0.78 KCNH2 (0.41) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL10669788 0.74 PIM1 (0.40) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9215466 0.74 KDM4E (0.33) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9129070 0.73 PIM1 (0.37) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9129061 0.73 PIM1 (0.37) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL6588035 0.71 PIM1 (0.38) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL28409035 0.70 KDM4E (0.52) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL28441029 0.70 KDM4E (0.52) PIM1GSK3AGSK3BPIM3CSNK1G1

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
US-5023257-A Related to ciprofloxacin, in the form of oily suspension; bacterial infections BAYER AKTIENGESELLSCHAFT (DE) 1991-06-11 US disclosed
US-4952695-A Cyclopropyl-6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinoline carboxylic acid, intermediate for antibacterials BAYER AKTIENGESELLSCHAFT (DE) 1990-08-28 US disclosed
EP-0337231-A2 I. M. injection forms of gyrase-inhibitors BAYER AG (DE) 1989-10-18 EP disclosed
EP-0126355-B1 7-AMINO-1-CYCLOPROPYL-6,8-DIFLUORO-1,4-DIHYDRO-4-OXO-3-QUINOLINE-CARBOXYLIC ACID, PROCESSES FOR THEIR PREPARATION AND ANTIBACTERIAL AGENTS CONTAINING THEM BAYER AG (DE) 1987-09-09 EP disclosed
US-4556658-A 7-Amino-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-quinoline-3-carboxylic acids and antibacterial agents containing these compounds BAYER AKTIENGESELLSCHAFT (DE) 1985-12-03 US disclosed
EP-0126355-A1 7-Amino-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-3-quinoline-carboxylic acid, processes for their preparation and antibacterial agents containing them BAYER AG (DE) 1984-11-28 EP disclosed