SCHEMBL10001896

SCHEMBL10001896

O=S(=O)(O)CCCCNc1ccc(O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
THRB P10828 2/20 0.46
HPGD P15428 2/20 0.46
ALOX15 P16050 2/20 0.46
CASP1 P29466 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
RECQL P46063 1/20 0.46
HIF1A Q16665 1/20 0.46
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
MGLL Q99685 2/20 0.42
PRSS1 P07477 7/20 0.42
APP P05067 1/20 0.41
F2 P00734 2/20 0.41
PRSS2 P07478 2/20 0.41
PRSS3 P35030 2/20 0.41
TMPRSS6 Q8IU80 2/20 0.41
ST14 Q9Y5Y6 2/20 0.41

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
SCHEMBL917583 0.96 ALDH1A1 (0.46) ALDH1A1THRBHPGDALOX15CASP1
SCHEMBL17195403 0.84 MAPT (0.55) ALDH1A1CYP3A4CA1CA2PRSS1
SCHEMBL11345217 0.84 CYP2D6 (0.51) ALDH1A1CA1CA2PRSS1APP
SCHEMBL1607864 0.83 ALDH1A1 (0.59) ALDH1A1CA1CA2PRSS1F2
SCHEMBL8969772 0.81 ALDH1A1 (0.57) ALDH1A1CA2PRSS1F2PRSS2
SCHEMBL8969604 0.81 ALDH1A1 (0.57) ALDH1A1CA1CA2PRSS1F2
SCHEMBL1606652 0.81 ALDH1A1 (0.57) ALDH1A1CA2PRSS1F2PRSS2
SCHEMBL1607516 0.81 ALDH1A1 (0.57) ALDH1A1CA2PRSS1F2PRSS2
SCHEMBL1607454 0.81 ALDH1A1 (0.57) ALDH1A1CA2PRSS1F2PRSS2
SCHEMBL917966 0.81 MEN1 (0.44) ALDH1A1CA1CA2PRSS1F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116768810-A Triazine derivative and preparation method and application thereof 福建省巴特斯化工实业有限公司 2023-09-19 CN disclosed
EP-2243628-B1 Method for making lithographic printing plates AGFA GRAPHICS NV (BE) 2012-12-05 EP disclosed
US-20120034565-A1 Lithographic printing plate precursor AGFA GRAPHICS NV (BE) 2012-02-09 US disclosed
US-20120034565-A1 Lithographic printing plate precursor AGFA GRAPHICS NV (BE) 2012-02-09 US disclosed
WO-2010122042-A1 A LITHOGRAPHIC PRINTING PLATE PRECURSOR AGFA GRAPHICS NV (BE) 2010-10-28 WO disclosed