SCHEMBL3816487

SCHEMBL3816487

[CH2]c1cccc(NC(=O)Nc2cc(F)ccc2F)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.56
GAA P10253 1/20 0.56
HTT P42858 5/20 0.55
RAB9A P51151 4/20 0.55
NPC1 O15118 2/20 0.55
MAPT P10636 6/20 0.53
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
GRIK1 P39086 2/20 0.50
POLB P06746 1/20 0.50
CNR1 P21554 2/20 0.48
LMNA P02545 2/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
TRPV1 Q8NER1 1/20 0.46
MTOR P42345 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46

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
SCHEMBL28052994 0.83 DDX3X (0.66) SMN1; SMN2GAAHTTRAB9ANPC1
SCHEMBL2267606 0.81 SMN1; SMN2 (0.53) SMN1; SMN2GAAHTTRAB9ANPC1
SCHEMBL30851500 0.74 RAB9A (0.79) SMN1; SMN2GAARAB9ANPC1MAPT
SCHEMBL27193042 0.74 RAB9A (0.79) SMN1; SMN2GAARAB9ANPC1MAPT
SCHEMBL6435289 0.72 GRIK1 (0.80) SMN1; SMN2HTTRAB9ANPC1MAPT
SCHEMBL4719939 0.72 KDR (0.54) SMN1; SMN2GAAHTTRAB9ANPC1
SCHEMBL8926778 0.72 ALDH1A1 (0.47) SMN1; SMN2HTTRAB9ANPC1MAPT
SCHEMBL23831319 0.71 GRIK1 (0.62) SMN1; SMN2GAAHTTRAB9ANPC1
SCHEMBL30105083 0.71 MEN1 (0.63) SMN1; SMN2GAAHTTRAB9ANPC1
SCHEMBL23831849 0.71 MEN1 (0.63) SMN1; SMN2GAAHTTRAB9ANPC1

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
EP-2091920-A2 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE Sanofi-Aventis (FR) 2009-08-26 EP disclosed
WO-2008065282-A2 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE SANOFI-AVENTIS (FR) 2008-06-05 WO disclosed