SCHEMBL17109631

SCHEMBL17109631

C=CS(=O)(=O)c1ccc(/N=N/c2c(S(=O)(=O)O)cc3ccc(/N=N/c4ccc(S(=O)(=O)C=C)cc4S(=O)(=O)O)c(O)c3c2N)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ PRMT1 Q99873 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ APP P05067 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ SNCA P37840 1/20 0.46
▸ BRCA1 P38398 1/20 0.46

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
SCHEMBL17109636 0.94 MEN1 (0.48) MEN1KMT2AHTTPRMT1ALDH1A1
SCHEMBL17148649 0.90 ENPP2 (0.48) MEN1KMT2AHTTPRMT1THRB
SCHEMBL17109628 0.86 ENPP2 (0.51) MEN1KMT2AHTTPRMT1THRB
SCHEMBL17109640 0.81 PRMT1 (0.62) MEN1KMT2AHTTPRMT1ALDH1A1
SCHEMBL22861889 0.81 ENPP2 (0.52) MEN1KMT2AHTTPRMT1ALDH1A1
SCHEMBL15671909 0.81 PRMT1 (0.61) MEN1KMT2AHTTPRMT1ALDH1A1
SCHEMBL17109629 0.77 PRMT1 (0.45) MEN1KMT2AHTTPRMT1ALDH1A1
SCHEMBL14514271 0.77 ENPP2 (0.43) MEN1KMT2AHTTPRMT1THRB
SCHEMBL10767595 0.76 MEN1 (0.64) MEN1KMT2AHTTPRMT1ALDH1A1
SCHEMBL15671895 0.75 THRB (0.55) MEN1KMT2AHTTPRMT1THRB

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-20150267345-A1 MIXTURES OF FIBER-REACTIVE AZO DYES, THEIR PREPARATION AND THEIR USE DYSTAR COLOURS DISTRIBUTION GMBH (DE) 2015-09-24 — — US disclosed
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