SCHEMBL6562294

SCHEMBL6562294

Nc1ccc(NCCCNc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GNG2 P59768 5/20 0.71
▸ GNB1 P62873 5/20 0.71
▸ CYP1A2 P05177 2/20 0.60
▸ CYP2C9 P11712 2/20 0.60
▸ ALOX15 P16050 2/20 0.60
▸ HSD17B10 Q99714 2/20 0.60
▸ P2RY4 P51582 8/20 0.57
▸ PHLPP2 Q6ZVD8 2/20 0.56
▸ ALDH1A1 P00352 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ MET P08581 3/20 0.52
▸ P2RY12 Q9H244 5/20 0.48
▸ P2RY2 P41231 4/20 0.48
▸ P2RY6 Q15077 3/20 0.48
▸ ENTPD1 P49961 2/20 0.48
▸ HPGDS O60760 1/20 0.48

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
SCHEMBL6563508 0.88 GNG2 (0.55) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL13899324 0.86 GNG2 (0.61) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL9815541 0.86 GNG2 (0.60) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL1764681 0.85 GNG2 (0.60) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL11604797 0.85 GNG2 (0.60) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL13921601 0.83 GNG2 (0.62) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL2778161 0.83 GNG2 (1.00) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL29354288 0.83 GNG2 (1.00) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL9136833 0.83 GNG2 (0.62) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL27697547 0.83 GNG2 (0.57) GNG2GNB1CYP1A2CYP2C9ALOX15

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-6828443-B1 Dyes and colorants HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-12-07 — — US claimed
EP-1189993-B1 NOVEL DYES AND COLORANTS HENKEL KGAA (DE) 2004-02-18 — — EP disclosed
EP-1189993-A1 NOVEL DYES AND COLORANTS Henkel Kommanditgesellschaft auf Aktien (DE) 2002-03-27 — — EP disclosed
WO-2001002492-A1 NOVEL DYES AND COLORANTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-01-11 — — WO disclosed
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