SCHEMBL17109629

SCHEMBL17109629

C=CS(=O)(=O)c1cc(OC)c(/N=N/c2ccc3cc(S(=O)(=O)O)c(/N=N/c4cc(OC)c(S(=O)(=O)C=C)cc4C)c(N)c3c2O)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 1/20 0.45
▸ ENPP2 Q13822 6/20 0.44
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ CYP3A4 P08684 3/20 0.43
▸ THRB P10828 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ MAPK1 P28482 3/20 0.43
▸ RECQL P46063 3/20 0.43
▸ HSD17B10 Q99714 3/20 0.43
▸ TP53 P04637 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ ALOX15 P16050 2/20 0.43
▸ BRCA1 P38398 2/20 0.43
▸ BLM P54132 2/20 0.43
▸ APEX1 P27695 2/20 0.43
▸ TDP1 Q9NUW8 2/20 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
SCHEMBL15671910 0.85 ENPP2 (0.54) PRMT1ENPP2MEN1KMT2AKDM4E
SCHEMBL15684671 0.84 ENPP2 (0.51) PRMT1ENPP2MEN1KMT2AKDM4E
SCHEMBL22861889 0.84 ENPP2 (0.52) PRMT1ENPP2MEN1KMT2AKDM4E
SCHEMBL18684955 0.80 ENPP2 (0.49) PRMT1ENPP2MEN1KMT2AKDM4E
SCHEMBL17109640 0.79 PRMT1 (0.62) PRMT1ENPP2MEN1KMT2AKDM4E
SCHEMBL17109631 0.77 MEN1 (0.49) PRMT1ENPP2MEN1KMT2AKDM4E
SCHEMBL17109636 0.77 MEN1 (0.48) PRMT1ENPP2MEN1KMT2AKDM4E
SCHEMBL14388836 0.75 ENPP2 (0.47) PRMT1ENPP2MEN1KMT2AKDM4E
SCHEMBL17109628 0.75 ENPP2 (0.51) PRMT1ENPP2MEN1KMT2ATHRB
SCHEMBL15671909 0.74 PRMT1 (0.61) PRMT1ENPP2MEN1KMT2AKDM4E

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
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