SCHEMBL9541515

SCHEMBL9541515

NC1CCC2=C1CN(c1cc(F)c3c(=O)c(C(=O)O)cn(C4CC4)c3c1F)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 2/20 0.45
KCNH2 Q12809 2/20 0.45
CACNA1F O60840 1/20 0.45
MAPK1 P28482 1/20 0.45
CACNA1D Q01668 1/20 0.45
CACNA1S Q13698 1/20 0.45
CACNA1C Q13936 1/20 0.45
TOP2A P11388 6/20 0.44
TOP2B Q02880 6/20 0.44
GSK3B P49841 9/20 0.44
ALDH1A1 P00352 2/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
KDM4E B2RXH2 1/20 0.39
LMNA P02545 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
SCHEMBL9536474 0.83 CACNA1F (0.64) MEN1KMT2APOLBKCNH2CACNA1F
SCHEMBL9241429 0.81 ALDH1A1 (0.54) MEN1KMT2APOLBKCNH2TOP2A
SCHEMBL9535359 0.78 ALDH1A1 (0.53) MEN1KMT2APOLBKCNH2TOP2A
SCHEMBL9538275 0.78 ALDH1A1 (0.67) MEN1KMT2APOLBKCNH2TOP2A
SCHEMBL9535715 0.76 KCNH2 (0.63) MEN1KMT2APOLBKCNH2GSK3B
SCHEMBL9149448 0.76 TOP2A (0.58) MEN1KMT2APOLBKCNH2CACNA1F
SCHEMBL9535290 0.75 DPP4 (0.62) KMT2APOLBTOP2ATOP2BGSK3B
SCHEMBL9145961 0.74 MEN1 (0.46) MEN1KMT2APOLBKCNH2CACNA1F
SCHEMBL9536591 0.72 CACNA1F (0.61) MEN1KMT2APOLBKCNH2CACNA1F
SCHEMBL9535816 0.72 ALDH1A1 (0.45) MEN1KMT2ATOP2ATOP2BALDH1A1

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
WO-1993013090-A1 NOVEL QUINOLONE CARBOXYLIC ACID DERIVATIVES AND PROCESSES FOR PREPARING SAME HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-08 WO disclosed