SCHEMBL9622901

SCHEMBL9622901

Nc1ccc(Nc2ccc(Cl)cc2OC(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
KCNMA1 Q12791 3/20 0.46
APP P05067 1/20 0.44
PDE7A Q13946 1/20 0.44
MAPT P10636 5/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPK1 P28482 2/20 0.42
ALOX15 P16050 2/20 0.40
HSD17B10 Q99714 1/20 0.40
HPGD P15428 1/20 0.40
PKM P14618 1/20 0.40
CYP3A4 P08684 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39

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
SCHEMBL9623039 0.92 L3MBTL1 (0.48) L3MBTL1KCNMA1APPPDE7AMAPT
SCHEMBL9622602 0.86 MAPT (0.53) L3MBTL1KCNMA1MAPTALDH1A1SMN1; SMN2
SCHEMBL127397 0.85 MAPT (0.57) L3MBTL1MAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL9622892 0.84 MAPT (0.56) L3MBTL1KCNMA1MAPTALDH1A1SMN1; SMN2
SCHEMBL9622919 0.84 MAPT (0.46) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6135331 0.83 MAPT (0.50) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9623030 0.82 MAPT (0.52) KCNMA1MAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL10531772 0.81 L3MBTL1 (0.52) L3MBTL1KCNMA1APPPDE7AMAPT
SCHEMBL10531659 0.81 L3MBTL1 (0.51) L3MBTL1KCNMA1APPMAPTALDH1A1
SCHEMBL9622925 0.79 ALDH1A1 (0.46) L3MBTL1MAPTALDH1A1MEN1KMT2A

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-0280187-B1 HAIR DYEING COMPOSITIONS WITH DIRECT-DYEING NITRO-DIPHENYL AMINE DERIVATIVES Henkel Kommanditgesellschaft auf Aktien (DE) 1992-01-02 EP disclosed