SCHEMBL4677281

SCHEMBL4677281

Cc1c(N2CC3CC3(N)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3(F)CC3)c12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.49
SCN5A Q14524 1/20 0.45
KDM4E B2RXH2 5/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
POLB P06746 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
AADAT Q8N5Z0 2/20 0.39
PMP22 Q01453 1/20 0.39
TOP1 P11387 3/20 0.39
TOP2A P11388 3/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL6948982 0.89 KCNH2 (0.49) KCNH2KDM4EKMT2AALDH1A1HPGD
SCHEMBL4677287 0.85 KCNH2 (0.53) KCNH2SCN5AKDM4EKMT2AALDH1A1
SCHEMBL15090830 0.84 KCNH2 (0.50) KCNH2SCN5AKDM4EKMT2AALDH1A1
SCHEMBL7511355 0.80 KCNH2 (0.65) KCNH2SCN5AKDM4EKMT2AALDH1A1
SCHEMBL8383857 0.80 KCNH2 (0.57) KCNH2KDM4EKMT2AALDH1A1HPGD
SCHEMBL6967038 0.80 CACNA1F (0.48) KCNH2KMT2APOLBTOP2A
SCHEMBL15726080 0.78 KCNH2 (0.51) KCNH2SCN5AKDM4EKMT2AALDH1A1
SCHEMBL14343329 0.78 KCNH2 (0.51) KCNH2SCN5AKDM4EKMT2AALDH1A1
SCHEMBL6529669 0.77 KCNH2 (0.67) KCNH2SCN5AKDM4EKMT2AALDH1A1
SCHEMBL8940663 0.76 KCNH2 (0.67) KCNH2KDM4EKMT2AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0807630-B1 HETEROCYCLIC COMPOUNDS DAIICHI SEIYAKU CO (JP) 2003-05-07 EP claimed
EP-1304329-B1 Pyridonecarboxylic acid derivatives and their use as antibacterial agents DAIICHI SANKYO CO LTD (JP) 2008-10-15 EP disclosed
EP-0807630-B1 HETEROCYCLIC COMPOUNDS DAIICHI SEIYAKU CO (JP) 2003-05-07 EP disclosed
EP-1304329-A2 Pyridonecarboxylic acid derivatives and their use as antibacterial agents DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-23 EP disclosed
EP-0807630-A1 HETEROCYCLIC COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-11-19 EP disclosed