SCHEMBL8558620

SCHEMBL8558620

C=Cn1cc(C(=O)OCC)c(=O)c2c(C)c(F)c(N3CCNCC3)c(F)c21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.45
HTT P42858 3/20 0.41
TSHR P16473 2/20 0.41
CASP1 P29466 1/20 0.41
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 4/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 3/20 0.36
CYP1A2 P05177 1/20 0.36
MEN1 O00255 1/20 0.35
DYRK1A Q13627 1/20 0.35
BRD4 O60885 1/20 0.34
LMNA P02545 1/20 0.34
CYP2J2 P51589 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ADORA3 P0DMS8 1/20 0.34

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
SCHEMBL8553250 0.87 TOP2A (0.41) STAT3HTTTSHRKMT2AALDH1A1
SCHEMBL8110329 0.83 STAT3 (0.57) STAT3HTTTSHRCASP1KMT2A
SCHEMBL9090275 0.80 KCNH2 (0.41) STAT3HTTTSHRKMT2AALDH1A1
SCHEMBL10777266 0.76 MEN1 (0.55) STAT3HTTTSHRCASP1KMT2A
SCHEMBL8557882 0.76 KDM4E (0.49) STAT3KMT2AALDH1A1KDM4EHPGD
SCHEMBL11070919 0.75 ALDH1A1 (0.59) HTTTSHRKMT2AALDH1A1KDM4E
SCHEMBL9089777 0.75 KCNH2 (0.54) STAT3HTTTSHRKMT2AALDH1A1
SCHEMBL8558484 0.74 KDM4E (0.53) STAT3HTTTSHRKMT2AALDH1A1
SCHEMBL11277560 0.74 LMNA (0.59) STAT3HTTTSHRKMT2AALDH1A1
SCHEMBL19728804 0.73 STAT3 (0.40) STAT3HTTTSHRCASP1KMT2A

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