SCHEMBL27367261

SCHEMBL27367261

CCc1cc(Br)c(C(F)(F)F)cc1C(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.54
SOS1 Q07889 1/20 0.46
CFTR P13569 6/20 0.44
PTPN2 P17706 1/20 0.38
MAPT P10636 5/20 0.37
NPSR1 Q6W5P4 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 2/20 0.35
EPHX1 P07099 1/20 0.35
CCR6 P51684 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
HTT P42858 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
SCHEMBL24311004 0.88 NOTUM (0.51) NOTUMSOS1CFTRPTPN2MAPT
SCHEMBL8609014 0.88 NOTUM (0.43) NOTUMSOS1CFTR
SCHEMBL30012935 0.84 NOTUM (0.52) NOTUMSOS1CFTRPTPN2MAPT
SCHEMBL23727980 0.84 NOTUM (0.52) NOTUMSOS1CFTRPTPN2MAPT
SCHEMBL27366274 0.83 CFTR (0.46) NOTUMSOS1CFTRMAPTALDH1A1
SCHEMBL8539026 0.81 NOTUM (0.60) NOTUMSOS1CFTRPTPN2MAPT
SCHEMBL24525533 0.80 CFTR (0.64) NOTUMSOS1CFTRMAPTALDH1A1
SCHEMBL31565668 0.80 CFTR (0.64) NOTUMSOS1CFTRMAPTALDH1A1
SCHEMBL23526150 0.80 NOTUM (0.55) NOTUMSOS1CFTRPTPN2MAPT
SCHEMBL21822936 0.80 NOTUM (0.55) NOTUMSOS1CFTRPTPN2MAPT

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
CN-1064955-C Fluorine-containing benzoylguanidines MERCK PATENT GMBH (DE) 2001-04-25 CN disclosed
CN-1143632-A Fluorine-containing benzoylguanidines MERCK PATENT GMBH (DE) 1997-02-26 CN disclosed