SCHEMBL18684955

SCHEMBL18684955

C=CS(=O)(=O)c1cc(OC)c(/N=N/c2c(S(=O)(=O)O)cc3cc(C)c(I)c(N)c3c2O)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 7/20 0.49
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ PRMT1 Q99873 2/20 0.42
▸ PHLPP2 Q6ZVD8 2/20 0.39
▸ CYP1A2 P05177 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ THRB P10828 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

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
SCHEMBL15684671 0.92 ENPP2 (0.51) ENPP2MEN1KMT2AHTTPRMT1
SCHEMBL15671910 0.90 ENPP2 (0.54) ENPP2MEN1KMT2AHTTPRMT1
SCHEMBL18684933 0.81 ENPP2 (0.46) ENPP2MEN1KMT2AHTTPRMT1
SCHEMBL17109629 0.80 PRMT1 (0.45) ENPP2MEN1KMT2AHTTPRMT1
SCHEMBL22861889 0.80 ENPP2 (0.52) ENPP2MEN1KMT2AHTTPRMT1
SCHEMBL15671909 0.74 PRMT1 (0.61) ENPP2MEN1KMT2AHTTPRMT1
SCHEMBL18684919 0.74 ENPP2 (0.47) ENPP2MEN1KMT2AHTTPRMT1
SCHEMBL14388836 0.74 ENPP2 (0.47) ENPP2MEN1KMT2AHTTPRMT1
SCHEMBL14388911 0.74 ENPP2 (0.51) ENPP2MEN1KMT2AHTTPRMT1
SCHEMBL18684928 0.73 ENPP2 (0.49) ENPP2MEN1KMT2AHTTPRMT1

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
WO-2017050597-A1 MIXTURES OF FIBRE-REACTIVE DYES DYSTAR COLOURS DISTRIBUTION GMBH (DE) 2017-03-30 — — WO disclosed
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