SCHEMBL7843312

SCHEMBL7843312

NC1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(CCF)c3c2F)C2CCOC12

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.57
ALDH1A1 P00352 6/20 0.46
HPGD P15428 4/20 0.46
HSD17B10 Q99714 4/20 0.46
PMP22 Q01453 1/20 0.45
KCNH2 Q12809 2/20 0.42
TOP1 P11387 5/20 0.41
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
TOP2A P11388 4/20 0.39
TOP2B Q02880 4/20 0.39
ALB P02768 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL9146187 0.84 KDM4E (0.64) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9146180 0.84 KDM4E (0.64) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9146198 0.84 KDM4E (0.64) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL7844377 0.81 KCNH2 (0.59) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL8181763 0.79 KCNH2 (0.60) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL8319024 0.79 ALDH1A1 (0.50) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL8181758 0.79 KCNH2 (0.60) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL7846485 0.79 ALDH1A1 (0.50) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL8181119 0.79 AADAT (0.62) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL7847437 0.79 KCNH2 (0.60) KDM4EALDH1A1HPGDHSD17B10KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0911336-B1 PYRIDONECARBOXYLIC ACID DERIVATIVES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF DAINIPPON PHARMACEUTICAL CO (JP) 2001-11-28 EP disclosed
US-6017911-A BACTERICIDES DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2000-01-25 US disclosed