SCHEMBL14030502

SCHEMBL14030502

COc1cc(N=Nc2cc3c(S(=O)(=O)O)cc(SOOO)cc3cc2S(=O)(=O)O)c(NC(C)=O)cc1N=Nc1ccc(N)c2c(S(=O)(=O)O)cccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PHLPP2 Q6ZVD8 1/20 0.35
▸ ENPP2 Q13822 7/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ THRB P10828 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ BRCA1 P38398 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ SLC10A1 Q14973 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL12054193 0.95 ENPP2 (0.36) PHLPP2ENPP2MEN1THRBKMT2A
SCHEMBL13454522 0.89 ENPP2 (0.39) PHLPP2ENPP2MEN1THRBKMT2A
SCHEMBL15255615 0.88 ENPP2 (0.42) PHLPP2ENPP2MEN1THRBKMT2A
SCHEMBL12054196 0.87 MEN1 (0.36) ENPP2MEN1THRBKMT2APTPN11
SCHEMBL14269778 0.82 PTPN11 (0.34) ENPP2PTPN11CA2CA3
SCHEMBL9180969 0.79 ENPP2 (0.49) PHLPP2ENPP2MEN1THRBKMT2A
SCHEMBL12054233 0.78 CASP6 (0.41) ENPP2MEN1KMT2AKDM4EALDH1A1
SCHEMBL18633562 0.75 ENPP2 (0.49) PHLPP2ENPP2MEN1THRBKMT2A
SCHEMBL13656150 0.75 FUT8 (0.31) MEN1THRBKMT2A
SCHEMBL14355359 0.73 PTPN11 (0.37) PHLPP2ENPP2MEN1KMT2AALDH1A1

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-20080256726-A1 azo dyes, triazine dyes has good reproducibility and good all-round colorfastness properties, wet-fastness properties HUNTSMAN INTERNATIONAL LLC 2008-10-23 — — US disclosed
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