SCHEMBL17109640

SCHEMBL17109640

C=CS(=O)(=O)c1ccc(/N=N/c2c(S(=O)(=O)O)cc3ccc(/N=N/c4cc(S(=O)(=O)C=C)ccc4OC)c(O)c3c2N)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 1/20 0.62
▸ ENPP2 Q13822 9/20 0.46
▸ THRB P10828 3/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ APEX1 P27695 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ RECQL P46063 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ BRCA1 P38398 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ SLC10A1 Q14973 1/20 0.43

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
SCHEMBL17109628 0.90 ENPP2 (0.51) PRMT1ENPP2THRBMEN1KMT2A
SCHEMBL17148649 0.88 ENPP2 (0.48) PRMT1ENPP2THRBMEN1KMT2A
SCHEMBL15671909 0.88 PRMT1 (0.61) PRMT1ENPP2THRBMEN1KMT2A
SCHEMBL17109636 0.88 MEN1 (0.48) PRMT1ENPP2THRBMEN1KMT2A
SCHEMBL17109631 0.81 MEN1 (0.49) PRMT1ENPP2THRBMEN1KMT2A
SCHEMBL15671895 0.80 THRB (0.55) PRMT1ENPP2THRBMEN1KMT2A
SCHEMBL22861889 0.79 ENPP2 (0.52) PRMT1ENPP2THRBMEN1KMT2A
SCHEMBL17109629 0.79 PRMT1 (0.45) PRMT1ENPP2THRBMEN1KMT2A
SCHEMBL12943144 0.77 ENPP2 (0.66) PRMT1ENPP2THRBMEN1KMT2A
SCHEMBL13763489 0.77 ENPP2 (0.51) PRMT1ENPP2THRBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150284904-A1 MIXTURES OF FIBER-REACTIVE AZO DYES, THEIR PREPARATION AND THEIR USE DYSTAR COLOURS DISTRIBUTION GMBH (DE) 2015-10-08 — — US disclosed
US-20150267345-A1 MIXTURES OF FIBER-REACTIVE AZO DYES, THEIR PREPARATION AND THEIR USE DYSTAR COLOURS DISTRIBUTION GMBH (DE) 2015-09-24 — — US disclosed
Send feedback