SCHEMBL4969708

SCHEMBL4969708

CCc1ccc(C(=O)c2cc(I)c(SC)cc2Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HTT P42858 1/20 0.44
PLK1 P53350 1/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 3/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 4/20 0.36
RXRA P19793 1/20 0.36
CCR9 P51686 1/20 0.35
AGTR1 P30556 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
TP53 P04637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL1252278 0.82 MAPT (0.47) MAPTSMN1; SMN2HTTPLK1RAB9A
SCHEMBL1253373 0.82 MAPT (0.44) MAPTSMN1; SMN2HTTPLK1RAB9A
SCHEMBL4967215 0.81 HSD17B10 (0.47) MAPTSMN1; SMN2HTTPLK1RAB9A
SCHEMBL4968303 0.79 MAPT (0.41) MAPTSMN1; SMN2HTTPLK1RAB9A
SCHEMBL1252927 0.78 MAPT (0.48) MAPTSMN1; SMN2HTTPLK1RAB9A
SCHEMBL4967339 0.77 MAPT (0.47) MAPTSMN1; SMN2HTTPLK1RAB9A
SCHEMBL2240608 0.76 MAPT (0.49) MAPTSMN1; SMN2HTTPLK1RAB9A
SCHEMBL4967258 0.76 SNCA (0.35) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL24199843 0.76 MAPT (0.51) MAPTSMN1; SMN2HTTPLK1RAB9A
SCHEMBL4969314 0.75 POLB (0.39) MAPTSMN1; SMN2HTTMEN1KMT2A

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
WO-2008101938-A1 GLUCOPYRANOSYL-SUBSTITUTED BENZYL-BENZONITRILE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-28 WO disclosed
WO-2008101938-A1 GLUCOPYRANOSYL-SUBSTITUTED BENZYL-BENZONITRILE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-28 WO disclosed