SCHEMBL18218143

SCHEMBL18218143

COc1cc(N=Nc2ccccc2S(=O)(=O)O)c(NC(C)=O)cc1N=Nc1ccc2cc(S(=O)(=O)O)cc(C)c2c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 9/20 0.46
▸ PRMT1 Q99873 1/20 0.40
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ THRB P10828 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ BRCA1 P38398 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ SLC10A1 Q14973 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL18218115 0.83 ALDH1A1 (0.49) ENPP2PRMT1MEN1KMT2AALDH1A1
SCHEMBL18218227 0.82 ENPP2 (0.52) ENPP2PRMT1MEN1KMT2AMAPK1
SCHEMBL2742451 0.77 ENPP2 (0.46) ENPP2MEN1KMT2AALDH1A1MAPK1
SCHEMBL18218137 0.77 ENPP2 (0.41) ENPP2PRMT1MEN1KMT2AALDH1A1
SCHEMBL16449884 0.76 ENPP2 (0.45) ENPP2PRMT1MEN1KMT2AALDH1A1
SCHEMBL16449874 0.75 ENPP2 (0.43) ENPP2PRMT1MEN1KMT2AAPEX1
SCHEMBL9173578 0.74 ENPP2 (0.60) ENPP2PRMT1MEN1KMT2AALDH1A1
SCHEMBL9180969 0.74 ENPP2 (0.49) ENPP2MEN1KMT2ATHRBALOX15
SCHEMBL9179502 0.73 ENPP2 (0.54) ENPP2ALDH1A1MAPTALOX15HSD17B10
SCHEMBL10448648 0.73 ENPP2 (0.54) ENPP2ALDH1A1MAPTALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160326384-A1 HIGH FIXATION INK COMPOSITION FOR DIGITAL TEXTILE PRINTING EVERLIGHT CHEMICAL INDUSTRIAL CORPORATION (TW) 2016-11-10 — — US disclosed
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