SCHEMBL14372000

SCHEMBL14372000

CC(=O)Nc1cc(S(=O)(=O)O)cc2cc(SOOO)c(N=Nc3cc(C)ccc3S(=O)O)c(O)c12

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 5/20 0.35
▸ MEN1 O00255 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ FUT8 Q9BYC5 1/20 0.33
▸ PRMT1 Q99873 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ THRB P10828 1/20 0.32
▸ CA2 P00918 1/20 0.31
▸ CA3 P07451 1/20 0.31
▸ CYP1A2 P05177 3/20 0.31
▸ CYP2C9 P11712 2/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ DNASE1L3 Q13609 1/20 0.31
▸ CASP6 P55212 1/20 0.30

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
SCHEMBL14372002 0.91 THRB (0.35) THRB
SCHEMBL14372037 0.89 ENPP2 (0.40) ENPP2MEN1HTTKMT2AALDH1A1
SCHEMBL14400315 0.85 PRMT1 (0.47) ENPP2MEN1HTTKMT2AALDH1A1
SCHEMBL14372035 0.83 ENPP2 (0.36) ENPP2MEN1HTTKMT2AALDH1A1
SCHEMBL13839141 0.81 ENPP2 (0.49) ENPP2MEN1HTTKMT2AFUT8
SCHEMBL14259378 0.80 ENPP2 (0.36) ENPP2MEN1HTTKMT2AALDH1A1
SCHEMBL14488860 0.80 ENPP2 (0.41) ENPP2MEN1HTTKMT2AFUT8
SCHEMBL10331479 0.79 ENPP2 (0.51) ENPP2MEN1HTTKMT2AALDH1A1
SCHEMBL13880994 0.78 PRMT1 (0.36) ENPP2MEN1HTTKMT2AFUT8
SCHEMBL2618024 0.77 ENPP2 (0.47) ENPP2MEN1HTTKMT2AALDH1A1

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-7282070-B2 Reactive dye composition and the use thereof EVERLIGHT USA, INC. (US) 2007-10-16 — — US disclosed
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