SCHEMBL9658941

SCHEMBL9658941

COC(=O)c1ccc([N+](=O)[O-])cc1SC(=O)CO

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 7/20 0.46
TDP1 Q9NUW8 3/20 0.45
GLA P06280 1/20 0.44
HTT P42858 2/20 0.43
POLB P06746 4/20 0.42
MAPT P10636 3/20 0.42
MAPK1 P28482 2/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PKM P14618 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL9661167 0.90 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1TDP1GLAHTT
SCHEMBL9659058 0.88 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1TDP1POLBMAPT
SCHEMBL9661030 0.79 KDM4E (0.51) SMN1; SMN2ALDH1A1GLAHTTPOLB
SCHEMBL9660800 0.79 CYP46A1 (0.44) SMN1; SMN2ALDH1A1TDP1GLAHTT
SCHEMBL9658942 0.79 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1TDP1GLAHTT
SCHEMBL9661104 0.78 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1TDP1GLAHTT
SCHEMBL9660294 0.78 ABL1 (0.53) SMN1; SMN2ALDH1A1TDP1POLBMAPT
SCHEMBL1403472 0.77 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1TDP1HTTPOLB
SCHEMBL30203403 0.77 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1TDP1HTTPOLB
SCHEMBL16961496 0.76 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1TDP1HTTPOLB

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-5118680-A COMBATING ENDOPARASITES WITH 3-HYDROXYBENZOTHIOPHENES BAYER AKTIENGESELLSCHAFT (DE) 1992-06-02 US disclosed