SCHEMBL8557898

SCHEMBL8557898

Cc1c(F)c(N2CCN(C)CC2)c(F)c2c1c(=O)c(C(=O)O)cn2-c1ccc(F)cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
LMNA P02545 2/20 0.52
MEN1 O00255 1/20 0.52
TOP1 P11387 2/20 0.49
TOP2A P11388 1/20 0.49
KDM4E B2RXH2 9/20 0.47
ADRA2B P18089 1/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 7/20 0.43
DRD3 P35462 1/20 0.43
HPGD P15428 5/20 0.42
HSD17B10 Q99714 5/20 0.42
EPHA2 P29317 1/20 0.42
FLT4 P35916 1/20 0.42
GSK3B P49841 1/20 0.42
RARB P10826 1/20 0.42
TBXAS1 P24557 1/20 0.42
SLC6A3 Q01959 1/20 0.42
POLB P06746 3/20 0.41
HSP90AA1 P07900 1/20 0.41

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
SCHEMBL8558490 0.90 ALDH1A1 (0.50) KMT2ALMNAMEN1TOP1TOP2A
SCHEMBL8852195 0.87 KMT2A (0.49) KMT2ALMNAMEN1TOP1TOP2A
SCHEMBL8560447 0.85 KMT2A (0.59) KMT2ALMNAMEN1TOP1TOP2A
SCHEMBL5868633 0.85 ALDH1A1 (0.53) KMT2ALMNAMEN1TOP1TOP2A
SCHEMBL8619695 0.84 KMT2A (0.60) KMT2ATOP1TOP2AALDH1A1EPHA2
SCHEMBL9871193 0.84 KDM4E (0.64) KMT2ALMNAMEN1TOP1TOP2A
SCHEMBL8622069 0.84 KMT2A (0.54) KMT2ALMNAMEN1TOP2AKDM4E
SCHEMBL10588580 0.84 KMT2A (0.54) KMT2ALMNAMEN1TOP2AKDM4E
SCHEMBL9087790 0.84 KCNH2 (0.54) KMT2ALMNAMEN1TOP1TOP2A
SCHEMBL9084760 0.82 KMT2A (0.40) KMT2ALMNAMEN1TOP1TOP2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0823413-A2 Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-02-11 EP disclosed
US-5591744-A 1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXYLATE DERIVATIVES; MICROBIOCIDES OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1997-01-07 US disclosed
EP-0287951-B1 7-Piperazinyl- or 7-Morpholino-4-oxo-quinoline-3-carboxylic acid derivatives, their preparation and their use as antimicrobial agents OTSUKA PHARMA CO LTD (JP) 1996-07-03 EP disclosed
US-5495020-A CHEMICAL INTERMEDIATE FOR BACTERICIDES, MICROBIOCIDES, DISINFECTANTS; SIDE EFFECT REDUCTION, ABSORPTION OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1996-02-27 US disclosed
EP-0565132-A2 Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-10-13 EP disclosed
EP-0287951-A2 7-Piperazinyl- or 7-Morpholino-4-oxo-quinoline-3-carboxylic acid derivatives, their preparation and their use as antimicrobial agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-10-26 EP disclosed