SCHEMBL14546922

SCHEMBL14546922

CC(=O)Nc1ccc(/N=N/c2c(O)c(/N=N/c3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3S(=O)(=O)O)c(O)c(/N=N/c3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3S(=O)(=O)O)c2O)c(S(=O)(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CD40 P25942 1/20 0.43
▸ CD40LG P29965 1/20 0.43
▸ AMY1A P0DUB6 4/20 0.42
▸ ENPP2 Q13822 5/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ PRMT3 O60678 1/20 0.40
▸ EP300 Q09472 1/20 0.40
▸ PRMT6 Q96LA8 1/20 0.40
▸ PRMT1 Q99873 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ THRB P10828 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CA2 P00918 1/20 0.37
▸ CA3 P07451 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ HTT P42858 1/20 0.36

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
SCHEMBL12053133 0.91 AMY1A (0.38) CD40CD40LGAMY1AENPP2ALDH1A1
SCHEMBL14546761 0.90 ENPP2 (0.41) CD40CD40LGAMY1AENPP2ALDH1A1
SCHEMBL14546978 0.86 ENPP2 (0.51) CD40CD40LGAMY1AENPP2ALDH1A1
SCHEMBL14547038 0.83 CYP1A2 (0.40) CD40CD40LGENPP2ALDH1A1KMT2A
SCHEMBL12052981 0.82 ENPP2 (0.36) CD40CD40LGAMY1AENPP2ALDH1A1
SCHEMBL14547031 0.82 TDP1 (0.41) CD40CD40LGENPP2ALDH1A1KMT2A
SCHEMBL14547034 0.81 PRMT1 (0.46) ENPP2ALDH1A1KMT2APRMT1MAPT
SCHEMBL13880641 0.81 PRMT3 (0.53) CD40CD40LGAMY1AENPP2ALDH1A1
SCHEMBL14547039 0.81 BRD4 (0.42) CD40CD40LGENPP2ALDH1A1KMT2A
SCHEMBL14547002 0.80 THRB (0.42) CD40CD40LGENPP2ALDH1A1KMT2A

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
WO-2007039573-A2 AZO REACTIVE DYES AND MIXTURES OF FIBER-REACTIVE AZO DYES, THEIR PREPARATION AND THEIR USE DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2007-04-12 — — WO disclosed
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