SCHEMBL8554403

SCHEMBL8554403

CCn1cc(C(=O)O)c(=O)c2c(C)c(F)c(N3CCNC(C)C3)c(F)c21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.70
HSD17B10 Q99714 5/20 0.70
ALDH1A1 P00352 4/20 0.70
HPGD P15428 4/20 0.70
PMP22 Q01453 1/20 0.69
KCNH2 Q12809 4/20 0.55
HRH3 Q9Y5N1 1/20 0.55
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
POLB P06746 2/20 0.47
PRKD3 O94806 1/20 0.47
ALOX15 P16050 1/20 0.47
OPRM1 P35372 1/20 0.47
CLK2 P49760 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CACNA1F O60840 1/20 0.45
MAPK1 P28482 1/20 0.45
CACNA1D Q01668 1/20 0.45
CACNA1S Q13698 1/20 0.45

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
SCHEMBL9088719 0.95 KDM4E (0.69) KDM4EHSD17B10ALDH1A1HPGDPMP22
SCHEMBL9590599 0.93 KDM4E (0.74) KDM4EHSD17B10ALDH1A1HPGDPMP22
SCHEMBL9089120 0.92 KDM4E (0.65) KDM4EHSD17B10ALDH1A1HPGDPMP22
SCHEMBL8558484 0.87 KDM4E (0.53) KDM4EHSD17B10ALDH1A1HPGDPMP22
SCHEMBL8558517 0.84 KCNH2 (0.70) KDM4EHSD17B10ALDH1A1HPGDPMP22
SCHEMBL26017154 0.83 KDM4E (0.84) KDM4EHSD17B10ALDH1A1HPGDPMP22
SCHEMBL9089777 0.83 KCNH2 (0.54) KDM4EHSD17B10ALDH1A1HPGDPMP22
SCHEMBL9089555 0.83 ALDH1A1 (0.56) KDM4EHSD17B10ALDH1A1HPGDPMP22
SCHEMBL8621996 0.83 PIM3 (0.52) KDM4EHSD17B10ALDH1A1HPGDPMP22
SCHEMBL9088353 0.83 KCNH2 (0.74) KDM4EHSD17B10ALDH1A1HPGDPMP22

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