SCHEMBL13454522

SCHEMBL13454522

COc1cc(N=Nc2cc3c(S(=O)(=O)O)cccc3cc2S(=O)(=O)O)c(NC(C)=O)cc1N=Nc1ccc(N)c2c(S(=O)(=O)O)cccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 7/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ THRB P10828 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ BRCA1 P38398 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ SLC10A1 Q14973 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CASP6 P55212 1/20 0.37

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
SCHEMBL15255615 0.93 ENPP2 (0.42) ENPP2MEN1THRBKMT2AKDM4E
SCHEMBL14030502 0.89 PHLPP2 (0.35) ENPP2MEN1THRBKMT2AKDM4E
SCHEMBL12054233 0.89 CASP6 (0.41) ENPP2MEN1KMT2AKDM4EALDH1A1
SCHEMBL9180969 0.86 ENPP2 (0.49) ENPP2MEN1THRBKMT2AALOX15
SCHEMBL12054193 0.84 ENPP2 (0.36) ENPP2MEN1THRBKMT2AKDM4E
SCHEMBL13454496 0.80 MEN1 (0.35) ENPP2MEN1THRBKMT2A
SCHEMBL18633562 0.79 ENPP2 (0.49) ENPP2MEN1THRBKMT2AKDM4E
SCHEMBL13454526 0.79 MEN1 (0.35) ENPP2MEN1THRBKMT2A
SCHEMBL12054230 0.77 ATIC (0.40) ENPP2MEN1THRBKMT2AKDM4E
SCHEMBL14431268 0.76 ENPP2 (0.46) ENPP2MEN1THRBKMT2AKDM4E

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-8536329-B2 Reactive dye EVERLIGHT USA, INC. (US) 2013-09-17 — — US disclosed
US-20120264922-A1 REACTIVE DYE EVERLIGHT USA, INC. (US) 2012-10-18 — — US disclosed
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