SCHEMBL11664402

SCHEMBL11664402

CCc1ccc(O)c(Sc2ccc(Cl)cc2)c1.CCc1ccc(O)c([S+]([O-])c2ccc(Cl)cc2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ HPGD P15428 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ ALOX15 P16050 2/20 0.37
▸ PLA2G1B P04054 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ ATG4B Q9Y4P1 1/20 0.37
▸ TRPA1 O75762 1/20 0.35
▸ RHEB Q15382 1/20 0.34
▸ LMNA P02545 3/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32

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
SCHEMBL11661653 0.88 TRPA1 (0.44) MEN1KMT2AHPGDALDH1A1HTT
SCHEMBL11658647 0.85 MEN1 (0.50) MEN1KMT2AHPGDALDH1A1HTT
SCHEMBL11662075 0.76 TRPA1 (0.46) ALDH1A1HTTALOX15HSD17B10TRPA1
SCHEMBL5988956 0.74 TRPA1 (0.47) MEN1KMT2AALDH1A1HTTALOX15
SCHEMBL5988961 0.74 TRPA1 (0.47) MEN1KMT2AALDH1A1HTTALOX15
SCHEMBL5988966 0.74 TRPA1 (0.47) MEN1KMT2AALDH1A1HTTALOX15
SCHEMBL11659597 0.72 MAPT (0.52) MEN1KMT2AHPGDALDH1A1HTT
SCHEMBL5988981 0.71 TRPA1 (0.50) MEN1KMT2AHPGDALDH1A1HTT
SCHEMBL7565930 0.70 TRPA1 (0.61) MEN1KMT2AHPGDALDH1A1HTT
SCHEMBL29779649 0.69 ALDH1A1 (0.42) MEN1KMT2AHPGDALDH1A1HTT

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-4122194-A Aryl sulphur compounds as antiasthmatics LILLY INDUSTRIES LIMITED (GB) 1978-10-24 — — US disclosed
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