SCHEMBL6566477

SCHEMBL6566477

CCCCCCCCCCCCCCCc1ccc(C(=O)CSc2nc[nH]n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRA P10827 11/20 0.51
THRB P10828 11/20 0.51
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA6 P23280 1/20 0.49
CA7 P43166 1/20 0.49
CA13 Q8N1Q1 1/20 0.49
HAO1 Q9UJM8 1/20 0.48
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
RARB P10826 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
RARA P10276 1/20 0.45
MAPT P10636 1/20 0.45
MTOR P42345 1/20 0.45

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
SCHEMBL5462511 0.76 S1PR1 (0.48) ALDH1A1KDM4EHPGDRAB9AMEN1
SCHEMBL11621717 0.76 THRA (0.51) THRATHRBHAO1ALDH1A1KDM4E
SCHEMBL11733993 0.73 THRA (0.56) THRATHRBHAO1ALDH1A1RARB
SCHEMBL8903148 0.71 THRA (0.75) THRATHRBHAO1ALDH1A1RARB
SCHEMBL1577439 0.71 HAO1 (0.79) THRATHRBHAO1ALDH1A1RARB
SCHEMBL10883866 0.71 THRA (0.75) THRATHRBHAO1ALDH1A1RARB
SCHEMBL11435461 0.71 THRA (0.75) THRATHRBHAO1ALDH1A1RARB
SCHEMBL13267849 0.71 THRA (0.75) THRATHRBHAO1ALDH1A1RARB
SCHEMBL11427685 0.71 THRA (0.75) THRATHRBHAO1ALDH1A1RARB
SCHEMBL11440891 0.70 THRA (0.79) THRATHRBHAO1RARB

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-0809144-B1 Substantially non-photosensitive thermographic recording material with improved stability and image-tone AGFA GEVAERT (BE) 2004-04-07 EP disclosed
US-5750319-A LIGHT-INSENSITIVE ORGANIC SILVER SALT, ORGANIC REDUCING AGENT, 1,2,4-TRIAZOLE COMPOUND AGFA-GEVAERT (BE) 1998-05-12 US disclosed
EP-0809144-A1 Substantially non-photosensitive thermographic recording material with improved stability and image-tone AGFA-GEVAERT N.V. (BE) 1997-11-26 EP disclosed