SCHEMBL8557811

SCHEMBL8557811

Cc1c(N2CCN(C)CC2)c(F)c(Cl)c2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 4/20 0.48
POLB P06746 3/20 0.48
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
KCNH2 Q12809 4/20 0.48
MAPK1 P28482 2/20 0.48
CACNA1F O60840 1/20 0.48
CACNA1D Q01668 1/20 0.48
CACNA1S Q13698 1/20 0.48
CACNA1C Q13936 1/20 0.48
HRH3 Q9Y5N1 2/20 0.47
TOP2A P11388 3/20 0.47
TOP2B Q02880 3/20 0.47
GSK3B P49841 4/20 0.45
KDM4E B2RXH2 6/20 0.44
HPGD P15428 3/20 0.44

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
SCHEMBL8103132 0.91 MEN1 (0.53) MEN1KMT2AALDH1A1POLBCHRM2
SCHEMBL8558156 0.91 MEN1 (0.61) MEN1KMT2AALDH1A1POLBCHRM2
SCHEMBL8557696 0.89 KCNH2 (0.53) MEN1KMT2AALDH1A1POLBCHRM2
SCHEMBL8559736 0.88 MEN1 (0.51) MEN1KMT2AALDH1A1POLBCHRM2
SCHEMBL8559684 0.88 STAT3 (0.43) MEN1KMT2AALDH1A1POLBCHRM2
SCHEMBL9474596 0.87 MEN1 (0.48) MEN1KMT2AALDH1A1POLBCHRM2
SCHEMBL8555828 0.86 POLB (0.66) MEN1KMT2AALDH1A1POLBCHRM2
SCHEMBL8557677 0.85 MEN1 (0.60) MEN1KMT2AALDH1A1POLBKCNH2
SCHEMBL8558544 0.84 KCNH2 (0.66) MEN1KMT2AALDH1A1POLBCHRM2
SCHEMBL9837378 0.83 POLB (0.61) MEN1KMT2AALDH1A1POLBCHRM2

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