SCHEMBL6562166

SCHEMBL6562166

COc1cc2c(cc1OC)N(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.57
ALDH1A1 P00352 3/20 0.57
LMNA P02545 3/20 0.57
HTT P42858 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
MAPK1 P28482 2/20 0.57
RAB9A P51151 2/20 0.53
POLB P06746 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.48
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
TDP1 Q9NUW8 1/20 0.45
NPC1 O15118 1/20 0.44
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43

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
SCHEMBL5755108 0.84 MAPT (0.54) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL5756449 0.79 MAPT (0.49) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL5245531 0.76 ALDH1A1 (0.47) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL5243650 0.74 ROCK1 (0.45) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL10620565 0.72 MEN1 (0.68) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL8647897 0.71 EGFR (0.67) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL9044161 0.71 ALDH1A1 (0.47) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL3303857 0.71 MAPT (0.46) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL20328418 0.70 TDP1 (0.66) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL20328412 0.70 TDP1 (0.66) MAPTALDH1A1LMNAHTTSMN1; SMN2

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 disclosed
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