SCHEMBL5261841

SCHEMBL5261841

CO/N=C1\CN(c2c(F)c(N)c3c(=O)c(OC(=O)O)cn(C4CC4)c3c2F)CC1(C)CN

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.43
CACNA1F O60840 1/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
CACNA1D Q01668 1/20 0.43
CACNA1S Q13698 1/20 0.43
CACNA1C Q13936 1/20 0.43
GSK3B P49841 13/20 0.37
TOP2A P11388 1/20 0.36
TOP2B Q02880 1/20 0.36
CHRM2 P08172 1/20 0.35
DRD1 P21728 1/20 0.35
DPP4 P27487 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ABCC4 O15439 1/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL5262126 0.92 KCNH2 (0.42) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL5262428 0.90 KCNH2 (0.40) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL5261839 0.89 KCNH2 (0.56) KCNH2CACNA1FPOLBMAPK1CACNA1D
Hydrochloric Acid SCHEMBL5265531 0.88 KCNH2 (0.56) KCNH2CACNA1FPOLBMAPK1CACNA1D
Hydrochloric Acid SCHEMBL5265526 0.88 KCNH2 (0.56) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL5261875 0.86 KCNH2 (0.46) KCNH2POLBTOP2ATOP2BCHRM2
SCHEMBL5262121 0.81 KCNH2 (0.55) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL9377018 0.81 KCNH2 (0.47) KCNH2CACNA1FPOLBMAPK1CACNA1D
Hydrochloric Acid SCHEMBL5261012 0.81 KCNH2 (0.54) KCNH2CACNA1FPOLBMAPK1CACNA1D
Hydrochloric Acid SCHEMBL5261003 0.81 KCNH2 (0.54) KCNH2CACNA1FPOLBMAPK1CACNA1D

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
EP-1187835-B1 OPTICALLY ACTIVE QUINOLINE CARBOXYLIC ACID DERIVATIVES HAVING 7-PYRROLIDINE SUBSTITUTES CAUSING OPTICAL ACTIVITY AND A PROCESS FOR PREPARING THEREOF DONG WHA PHARM IND CO LTD (KR) 2007-12-26 EP claimed