SCHEMBL9102010

SCHEMBL9102010

Nc1ccccc1Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.71
ALDH1A1 P00352 3/20 0.69
MAPK1 P28482 3/20 0.62
TDP1 Q9NUW8 2/20 0.62
CASP7 P55210 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
GAA P10253 2/20 0.56
PKM P14618 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.51
RAB9A P51151 2/20 0.51
KAT2B Q92831 2/20 0.50
PDE7A Q13946 1/20 0.50
HDAC1 Q13547 2/20 0.49
EPAS1 Q99814 1/20 0.48
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47

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
SCHEMBL30414503 1.00 MAPT (0.71) MAPTALDH1A1MAPK1TDP1CASP7
SCHEMBL397773 0.88 MAPK1 (0.77) MAPTALDH1A1MAPK1TDP1CASP7
SCHEMBL13862153 0.87 TDP1 (0.66) MAPTALDH1A1MAPK1TDP1CASP7
SCHEMBL5697776 0.84 MAPT (1.00) MAPTALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL11479021 0.82 MAPT (0.59) MAPTALDH1A1MAPK1TDP1CASP7
SCHEMBL14365250 0.81 MAPT (0.54) MAPTALDH1A1MAPK1TDP1CASP7
SCHEMBL11589512 0.80 KMT2A (0.61) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL10779353 0.79 MAPT (0.67) MAPTALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL10779759 0.79 MAPT (0.67) MAPTALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL7171202 0.79 MAPK1 (0.74) MAPTALDH1A1MAPK1TDP1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3950127-A HAIR DYE COMPOSITIONS CONTAINING NITRODIPHENYLAMINE DYES AND METHOD FOR DYEING HAIR THEREWITH CLAIROL INCORPORATED (US) 1976-04-13 US claimed
EP-3023425-A1 COMPOUND, ORGANIC OPTOELECTRONIC ELEMENT COMPRISING SAME, AND DISPLAY DEVICE Samsung SDI Co., Ltd. (KR) 2016-05-25 EP disclosed
EP-0701993-A2 Process for the preparation of aminodiphenylamine compounds CIBA-GEIGY AG (CH) 1996-03-20 EP disclosed
US-5200422-A Benzimidazole derivatives, their preparation and use NEUROSEARCH A/S (DK) 1993-04-06 US disclosed
EP-0477819-A2 Benzimidazole derivatives, their preparation and use NEUROSEARCH A/S (DK) 1992-04-01 EP disclosed
US-4021486-A Hydroxyalkyl-amino nitrodiphenylamine compounds useful as hair dyes CLAIROL INCORPORATED (US) 1977-05-03 US disclosed
US-3950127-A HAIR DYE COMPOSITIONS CONTAINING NITRODIPHENYLAMINE DYES AND METHOD FOR DYEING HAIR THEREWITH CLAIROL INCORPORATED (US) 1976-04-13 US disclosed