SCHEMBL13689986

SCHEMBL13689986

C=C(C)c1ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1Cl

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.60
LMNA P02545 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
MAPK1 P28482 2/20 0.56
IDO1 P14902 1/20 0.56
ALOX15 P16050 1/20 0.56
HTT P42858 1/20 0.56
ALDH1A1 P00352 2/20 0.56
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
RAB9A P51151 1/20 0.54
GPR27 Q9NS67 1/20 0.54
GAA P10253 1/20 0.53
GFER P55789 1/20 0.53
KDM4E B2RXH2 1/20 0.53

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
SCHEMBL13602265 0.90 PKM (0.63) PKMLMNASMN1; SMN2MAPK1IDO1
SCHEMBL13689960 0.85 GAA (0.56) PKMLMNASMN1; SMN2ALOX15HTT
SCHEMBL13689755 0.84 UQCRB (0.53) PKMALOX15HTTALDH1A1GPR27
SCHEMBL13690016 0.83 RORC (0.53) SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL28557447 0.82 LMNA (0.64) PKMLMNASMN1; SMN2MAPK1IDO1
SCHEMBL14567709 0.81 LMNA (0.63) PKMLMNASMN1; SMN2MAPK1IDO1
SCHEMBL13689995 0.80 SMN1; SMN2 (0.58) PKMLMNASMN1; SMN2HTTALDH1A1
SCHEMBL13689979 0.80 PKM (0.60) PKMLMNAALDH1A1GPR27
SCHEMBL13690049 0.78 BDKRB1 (0.61) SMN1; SMN2MAPK1HTTGAA
SCHEMBL13690007 0.77 ATM (0.58) PKMLMNAALDH1A1MEN1KMT2A

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
US-7595399-B2 Tyrosine derivatives GENENTECH, INC. (US) 2009-09-29 US disclosed