SCHEMBL10958076

SCHEMBL10958076

CC(C)C(=S)Nc1cccc(-n2nnnc2S)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.41
▸ TDO2 P48775 1/20 0.41
▸ ALDH1A1 P00352 9/20 0.37
▸ MAPT P10636 6/20 0.37
▸ L3MBTL1 Q9Y468 4/20 0.37
▸ LMNA P02545 4/20 0.37
▸ CRHBP P24387 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ PKM P14618 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ POLB P06746 3/20 0.33
▸ HPGD P15428 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MEN1 O00255 1/20 0.33

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
SCHEMBL8577480 0.87 IDO1 (0.40) IDO1TDO2ALDH1A1MAPTL3MBTL1
SCHEMBL10955853 0.82 ALDH1A1 (0.43) IDO1TDO2ALDH1A1MAPTL3MBTL1
SCHEMBL29870318 0.81 IDO1 (0.54) IDO1TDO2ALDH1A1MAPTL3MBTL1
SCHEMBL1537861 0.81 IDO1 (0.54) IDO1TDO2ALDH1A1MAPTL3MBTL1
SCHEMBL11108936 0.81 ALDH1A1 (0.40) IDO1TDO2ALDH1A1MAPTL3MBTL1
SCHEMBL10991114 0.80 HPGD (0.51) IDO1TDO2ALDH1A1MAPTL3MBTL1
SCHEMBL7954309 0.80 IDO1 (0.53) IDO1TDO2ALDH1A1MAPTL3MBTL1
SCHEMBL7954313 0.80 IDO1 (0.53) IDO1TDO2ALDH1A1MAPTL3MBTL1
Bromide SCHEMBL7951258 0.80 IDO1 (0.53) IDO1TDO2ALDH1A1MAPTL3MBTL1
SCHEMBL8172135 0.79 ALDH1A1 (0.43) IDO1TDO2ALDH1A1MAPTL3MBTL1

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
EP-0053851-B1 NOVEL ANTIFOGGING COMPOUNDS AND THEIR USE IN SILVER HALIDE PHOTOGRAPHY AGFA-GEVAERT N.V. (BE) 1985-05-29 — — EP disclosed
US-4451555-A 1-PHENYL-5-MERCAPTOTETRAZOLES AGFA-GEVAERT, N.V. (BE) 1984-05-29 — — US disclosed
EP-0053851-A1 Novel antifogging compounds and their use in silver halide photography AGFA-GEVAERT N.V. (BE) 1982-06-16 — — EP disclosed
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