SCHEMBL11568437

SCHEMBL11568437

COc1ccc(SC(=O)Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
CA1 P00915 6/20 0.50
CA2 P00918 6/20 0.50
CES2 O00748 2/20 0.48
CES1 P23141 2/20 0.48
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
TERT O14746 1/20 0.45
PARP1 P09874 1/20 0.45
PARP10 Q53GL7 1/20 0.45
PARP2 Q9UGN5 1/20 0.45
PARP4 Q9UKK3 1/20 0.45
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL5229538 0.81 MAPT (0.53) HPGDALDH1A1MAPTCA1CA2
SCHEMBL7306933 0.79 CA1 (0.55) HPGDALDH1A1MAPTCA1CA2
SCHEMBL7164638 0.79 CA1 (0.46) HPGDALDH1A1MAPTCA1CA2
SCHEMBL28338045 0.78 CA1 (0.50) HPGDALDH1A1MAPTCA1CA2
SCHEMBL11579346 0.77 ENPP3 (0.40) HPGDALDH1A1MAPTCA2CA12
SCHEMBL11768736 0.76 PLK1 (0.53) HPGDALDH1A1MAPTCA1CA2
SCHEMBL11338721 0.76 ALDH1A1 (0.49) HPGDALDH1A1MAPTCA1CA2
SCHEMBL22735096 0.76 ALDH1A1 (0.49) HPGDALDH1A1MAPTCA1CA2
SCHEMBL7703409 0.76 MAPT (0.48) HPGDALDH1A1MAPTCES2CES1
SCHEMBL30632188 0.75 CA1 (0.58) HPGDALDH1A1MAPTCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4132800-A NEMATOCIDES FOR PLANTS PPG INDUSTRIES, INC. (US) 1979-01-02 US disclosed
US-4046912-A S-p-Methoxyphenyl N-2,3-dibromopropylthiolcarbamate and its use in the control of plant nematodes PPG INDUSTRIES, INC. (US) 1977-09-06 US disclosed
US-4003909-A [(1,2,4-Oxadiazol-3-yl)phenyl]carbamic or thiocarbamic acid esters E. R. SQUIBB & SONS, INC. (US) 1977-01-18 US disclosed