SCHEMBL10529862

SCHEMBL10529862

CC(=O)Nc1ccc(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.73
▸ ALDH1A1 P00352 5/20 0.69
▸ MAPT P10636 4/20 0.69
▸ MEN1 O00255 3/20 0.69
▸ KMT2A Q03164 3/20 0.69
▸ LMNA P02545 3/20 0.69
▸ L3MBTL1 Q9Y468 2/20 0.69
▸ NPSR1 Q6W5P4 1/20 0.69
▸ ALDH3A1 P30838 2/20 0.65
▸ THRB P10828 1/20 0.62
▸ AKR1B1 P15121 1/20 0.61
▸ AKR1C4 P17516 1/20 0.61
▸ AKR1C3 P42330 1/20 0.61
▸ AKR1C2 P52895 1/20 0.61
▸ AKR1C1 Q04828 1/20 0.61
▸ EPAS1 Q99814 1/20 0.57
▸ HTT P42858 2/20 0.56
▸ PKM P14618 1/20 0.55
▸ POLB P06746 1/20 0.53
▸ HPGD P15428 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
SCHEMBL8559703 0.89 AKR1B1 (0.70) MAPK1ALDH1A1MAPTMEN1KMT2A
SCHEMBL15598676 0.88 THRB (0.60) MAPK1ALDH1A1MAPTMEN1KMT2A
SCHEMBL16739563 0.87 KCNMA1 (0.63) MAPK1ALDH1A1MAPTMEN1KMT2A
SCHEMBL11392520 0.87 MAPK1 (0.84) MAPK1ALDH1A1MAPTMEN1KMT2A
SCHEMBL10527474 0.85 MAPT (0.65) MAPK1ALDH1A1MAPTMEN1KMT2A
SCHEMBL10880474 0.84 MAPK1 (0.76) MAPK1ALDH1A1MAPTMEN1KMT2A
SCHEMBL13219020 0.82 ALDH3A1 (0.70) MAPK1ALDH1A1MAPTMEN1KMT2A
SCHEMBL11382431 0.82 MAPK1 (0.76) MAPK1ALDH1A1MAPTMEN1KMT2A
SCHEMBL10529983 0.82 MAPK1 (0.76) MAPK1ALDH1A1MAPTMEN1KMT2A
SCHEMBL13811262 0.81 MAPK1 (0.75) MAPK1ALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0176798-B1 AMINODIPHENYL AMINES AND HAIR DYES CONTAINING THEM Henkel Kommanditgesellschaft auf Aktien (DE) 1989-01-18 — — EP disclosed
EP-0176798-A1 Aminodiphenyl amines and hair dyes containing them Henkel Kommanditgesellschaft auf Aktien (DE) 1986-04-09 — — EP disclosed
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