SCHEMBL9232108

SCHEMBL9232108

CC(C)(C)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.66
▸ MEN1 O00255 7/20 0.66
▸ KMT2A Q03164 7/20 0.66
▸ HPGD P15428 4/20 0.66
▸ HTT P42858 2/20 0.66
▸ SMN1; SMN2 Q16637 2/20 0.66
▸ MAPK1 P28482 2/20 0.66
▸ LMNA P02545 3/20 0.57
▸ ALDH1A1 P00352 6/20 0.56
▸ NPSR1 Q6W5P4 2/20 0.56
▸ RECQL P46063 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ PTGIR P43119 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ GAA P10253 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ TTBK1 Q5TCY1 1/20 0.44
▸ TTBK2 Q6IQ55 1/20 0.44
▸ KDM4E B2RXH2 2/20 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
SCHEMBL1466162 0.89 MEN1 (0.65) MAPTMEN1KMT2AHPGDHTT
Ammonia Solution, Strong SCHEMBL28461881 0.88 MEN1 (0.63) MAPTMEN1KMT2AHPGDHTT
SCHEMBL12347503 0.84 MEN1 (0.59) MAPTMEN1KMT2AHPGDHTT
SCHEMBL9233195 0.80 KMT2A (0.60) MAPTMEN1KMT2AHPGDLMNA
SCHEMBL3328543 0.80 MAPT (0.79) MAPTMEN1KMT2AHPGDHTT
SCHEMBL4163474 0.80 MAPT (0.79) MAPTMEN1KMT2AHPGDHTT
SCHEMBL11806188 0.79 MEN1 (0.72) MAPTMEN1KMT2AHPGDHTT
SCHEMBL9232889 0.79 MEN1 (0.54) MAPTMEN1KMT2AHPGDHTT
SCHEMBL8934649 0.78 MAPT (0.76) MAPTMEN1KMT2AHPGDHTT
Fluoride SCHEMBL29135589 0.78 MAPT (0.76) MAPTMEN1KMT2AHPGDHTT

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
EP-0666253-A1 N-t-BUTYLANILINE ANALOG AND LIPID LEVEL DEPRESSANT CONTAINING THE SAME TAISHO PHARMACEUTICAL CO. LTD (JP) 1995-08-09 — — EP disclosed
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