SCHEMBL13998613

SCHEMBL13998613

Cc1ccc(Nc2nc(Cl)nc(Nc3c(C)c(Nc4cc(S(=O)(=O)O)c(N)c5c4C(=O)c4ccccc4C5=O)c(C)c(S(=O)(=O)O)c3C)n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHAT P28329 4/20 0.64
▸ USP2 O75604 2/20 0.64
▸ APEX1 P27695 2/20 0.64
▸ HPGDS O60760 1/20 0.62
▸ ENPP3 O14638 1/20 0.60
▸ ENPP1 P22413 1/20 0.60
▸ P2RY4 P51582 5/20 0.58
▸ P2RY2 P41231 5/20 0.58
▸ P2RY12 Q9H244 3/20 0.58
▸ P2RY6 Q15077 1/20 0.58
▸ P2RX2 Q9UBL9 2/20 0.57
▸ P2RX7 Q99572 1/20 0.57
▸ GNG2 P59768 2/20 0.55
▸ GNB1 P62873 2/20 0.55
▸ MEN1 O00255 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ GAA P10253 1/20 0.53

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
SCHEMBL11885184 0.95 CHAT (0.63) CHATUSP2APEX1HPGDSENPP3
SCHEMBL12189770 0.94 CHAT (0.72) CHATUSP2APEX1HPGDSENPP3
SCHEMBL14539837 0.93 CHAT (0.61) CHATUSP2APEX1HPGDSENPP3
SCHEMBL14981571 0.92 CHAT (0.63) CHATUSP2APEX1HPGDSENPP3
SCHEMBL13998614 0.91 CHAT (0.64) CHATUSP2APEX1HPGDSENPP3
SCHEMBL12662773 0.91 HPGDS (0.60) CHATUSP2APEX1HPGDSENPP3
SCHEMBL8986185 0.90 CHAT (0.73) CHATUSP2APEX1HPGDSENPP3
SCHEMBL13891568 0.88 CHAT (0.59) CHATUSP2APEX1HPGDSENPP3
SCHEMBL12172892 0.88 CHAT (0.59) CHATUSP2APEX1HPGDSENPP3
SCHEMBL11885196 0.87 HPGDS (0.56) CHATUSP2APEX1HPGDSENPP3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468081-B2 Mono-, di-or trichromatic dyeing or printing of natural or synthetic polyamide fiber materials DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2008-12-23 — — US disclosed
US-7381228-B2 Mono-, Di- or Trichromatic Dyeing or Printing of Natural or Synthetic Polyamide Fiber Materials DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2008-06-03 — — US disclosed
US-20070199162-A1 Mono-, Di- or Trichromatic Dyeing or Printing of Natural or Synthetic Polyamide Fiber Materials DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2007-08-30 — — US disclosed
US-20070199163-A1 Mono-, Di- or Trichromatic Dyeing or Printing of Natural or Synthetic Polyamide Fiber Materials DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2007-08-30 — — US disclosed
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