SCHEMBL10955853

SCHEMBL10955853

CCC(=S)Nc1cccc(-n2nnnc2S)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.43
▸ LMNA P02545 4/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ CRHBP P24387 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43
▸ PKM P14618 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ TDO2 P48775 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ GAA P10253 1/20 0.36
▸ POLB P06746 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ USP2 O75604 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ S1PR4 O95977 1/20 0.34

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
SCHEMBL11108936 0.90 ALDH1A1 (0.40) ALDH1A1LMNAL3MBTL1MAPTRAB9A
SCHEMBL14498626 0.85 ALDH1A1 (0.58) ALDH1A1LMNAL3MBTL1MAPTRAB9A
SCHEMBL10959900 0.84 KMT2A (0.41) ALDH1A1LMNAL3MBTL1MAPTSMN1; SMN2
SCHEMBL8577482 0.83 PKM (0.40) ALDH1A1LMNAL3MBTL1MAPTRAB9A
SCHEMBL28026468 0.83 ALDH1A1 (0.46) ALDH1A1LMNAL3MBTL1MAPTRAB9A
SCHEMBL10958076 0.82 IDO1 (0.41) ALDH1A1LMNAL3MBTL1MAPTRAB9A
SCHEMBL29870318 0.81 IDO1 (0.54) ALDH1A1LMNAL3MBTL1MAPTRAB9A
SCHEMBL1537861 0.81 IDO1 (0.54) ALDH1A1LMNAL3MBTL1MAPTRAB9A
SCHEMBL9769965 0.81 ALDH1A1 (0.48) ALDH1A1LMNAL3MBTL1MAPTRAB9A
SCHEMBL14498637 0.81 ALDH1A1 (0.44) ALDH1A1LMNAL3MBTL1MAPTRAB9A

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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