SCHEMBL10509697

SCHEMBL10509697

COc1ccccc1SC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.53
CA2 P00918 4/20 0.53
CA12 O43570 3/20 0.53
CA7 P43166 3/20 0.53
CA9 Q16790 3/20 0.53
CA4 P22748 2/20 0.53
MTNR1A P48039 2/20 0.53
MTNR1B P49286 2/20 0.53
POLB P06746 2/20 0.47
CA14 Q9ULX7 2/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
TSHR P16473 3/20 0.45
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HSD17B10 Q99714 1/20 0.44
TP53 P04637 1/20 0.43
HTT P42858 2/20 0.42

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
SCHEMBL11692061 0.82 MTNR1A (0.47) CA1CA2CA12CA7CA9
SCHEMBL8539852 0.81 MTNR1A (0.54) CA1CA2CA12CA7CA9
SCHEMBL6021805 0.79 MTNR1A (0.45) CA1CA2CA12CA7CA9
SCHEMBL11616932 0.78 CA12 (0.47) CA1CA2CA12CA7CA9
SCHEMBL31260836 0.78 HTT (0.40) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL6248477 0.77 MTNR1A (0.50) CA1CA2CA12CA7CA9
SCHEMBL7455045 0.77 HTT (0.44) CA1CA2CA12CA7CA9
SCHEMBL29025787 0.77 PTGS2 (0.46) CA1CA2CA12CA7CA9
SCHEMBL8039889 0.77 PTGS2 (0.50) CA1CA2CA12CA7CA9
SCHEMBL18474249 0.76 CA12 (0.48) CA1CA2CA12CA7CA9

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109796383-B 1-thiophenyl-N-acetyl-2-naphthylamine and its derivative and synthesis method 湘潭大学 2020-09-18 CN claimed
CN-109796383-B 1-thiophenyl-N-acetyl-2-naphthylamine and its derivative and synthesis method 湘潭大学 2020-09-18 CN disclosed
EP-0169581-B1 ANTITUSSIVE AND MUCUS REGULATING 2-SUBSTITUTED THIAZOLIDINES BOEHRINGER BIOCHEMIA ROBIN S.p.A. (IT) 1989-12-06 EP disclosed
US-4857643-A Antitussive and mucus regulating 2-substituted thiazolidines BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1989-08-15 US disclosed
US-4798898-A BRONCHODILATORS BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1989-01-17 US disclosed
EP-0169581-A2 Antitussive and mucus regulating 2-substituted thiazolidines BOEHRINGER BIOCHEMIA ROBIN S.p.A. (IT) 1986-01-29 EP disclosed