SCHEMBL493523

SCHEMBL493523

O=S(=O)(c1ccc(Cl)cc1Cl)N1CCCC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.74
TSHR P16473 7/20 0.72
ALOX15 P16050 1/20 0.72
L3MBTL1 Q9Y468 1/20 0.72
HTT P42858 2/20 0.71
KDM4E B2RXH2 2/20 0.62
POLB P06746 2/20 0.62
HPGD P15428 1/20 0.62
RAB9A P51151 1/20 0.62
TRPV4 Q9HBA0 1/20 0.61
MAPT P10636 2/20 0.58
LMNA P02545 1/20 0.58
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
HSD11B1 P28845 1/20 0.57
MAPK1 P28482 1/20 0.54
USP2 O75604 1/20 0.54
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 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
SCHEMBL19348431 0.86 KMT2A (0.65) ALDH1A1TSHRALOX15L3MBTL1HTT
SCHEMBL197131 0.85 ALDH1A1 (1.00) ALDH1A1TSHRALOX15L3MBTL1HTT
SCHEMBL29244538 0.84 USP2 (0.77) ALDH1A1TSHRALOX15L3MBTL1HTT
SCHEMBL29779557 0.84 TRPV4 (0.57) ALDH1A1TSHRALOX15L3MBTL1HTT
SCHEMBL6422908 0.84 TSHR (1.00) ALDH1A1TSHRALOX15L3MBTL1HTT
SCHEMBL30270554 0.82 ALDH1A1 (0.56) ALDH1A1TSHRALOX15L3MBTL1HTT
SCHEMBL15010830 0.82 TSHR (0.62) ALDH1A1TSHRALOX15L3MBTL1HTT
SCHEMBL25920392 0.82 ALDH1A1 (0.56) ALDH1A1TSHRALOX15L3MBTL1HTT
SCHEMBL30270512 0.81 TSHR (0.57) ALDH1A1TSHRALOX15L3MBTL1HTT
SCHEMBL15651913 0.81 ALDH1A1 (0.73) ALDH1A1TSHRALOX15L3MBTL1HTT

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-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed