SCHEMBL8923183

SCHEMBL8923183

NC12C=CC=CC1CN(c1c(F)cc3c(=O)c(C(=O)OC(=O)c4cn(C5CC5)c5c(F)c(F)c(F)cc5c4=O)cn(C4CC4)c3c1F)C2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.43
ALDH1A1 P00352 4/20 0.43
POLB P06746 2/20 0.43
OPRM1 P35372 2/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
OPRD1 P41143 1/20 0.43
KDM4E B2RXH2 3/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 2/20 0.41
PRKD3 O94806 1/20 0.41
ALOX15 P16050 1/20 0.41
CLK2 P49760 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ADRB2 P07550 1/20 0.40
TOP2A P11388 6/20 0.39
TOP2B Q02880 6/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL8923177 0.93 KCNH2 (0.51) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL8926299 0.91 ALDH1A1 (0.52) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL8324813 0.90 KCNH2 (0.53) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL8324816 0.86 KCNH2 (0.42) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL8330367 0.85 KCNH2 (0.45) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL8326222 0.84 KCNH2 (0.43) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL8319673 0.84 KCNH2 (0.61) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL8319059 0.83 KCNH2 (0.62) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL8926683 0.83 ALDH1A1 (0.60) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL8926291 0.83 ALDH1A1 (0.60) KCNH2ALDH1A1POLBOPRM1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5679689-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-10-21 US disclosed