SCHEMBL9623030

SCHEMBL9623030

COc1cc(Nc2ccc(N)cc2[N+](=O)[O-])c(OC(=O)O)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
HPGD P15428 3/20 0.52
ALDH1A1 P00352 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
AKR1C3 P42330 4/20 0.46
AKR1C2 P52895 4/20 0.46
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44
ABCB1 P08183 1/20 0.42
AKR1B10 O60218 1/20 0.42
AKR1B1 P15121 1/20 0.42
AKR1C4 P17516 1/20 0.42
AKR1C1 Q04828 1/20 0.42
THRB P10828 1/20 0.42
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
RECQL P46063 1/20 0.40
DUSP3 P51452 1/20 0.40

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
SCHEMBL9622892 0.87 MAPT (0.56) MAPTMEN1KMT2AHPGDALDH1A1
SCHEMBL9622602 0.85 MAPT (0.53) MAPTMEN1KMT2AHPGDALDH1A1
SCHEMBL9622919 0.83 MAPT (0.46) MAPTMEN1KMT2AHPGDALDH1A1
SCHEMBL9622901 0.82 L3MBTL1 (0.49) MAPTMEN1KMT2AHPGDALDH1A1
SCHEMBL127397 0.82 MAPT (0.57) MAPTMEN1KMT2AHPGDALDH1A1
SCHEMBL6135331 0.82 MAPT (0.50) MAPTMEN1KMT2AHPGDALDH1A1
SCHEMBL9623039 0.81 L3MBTL1 (0.48) MAPTMEN1KMT2AHPGDALDH1A1
SCHEMBL9622925 0.76 ALDH1A1 (0.46) MAPTMEN1KMT2AHPGDALDH1A1
SCHEMBL9622222 0.76 MEN1 (0.57) MAPTMEN1KMT2AHPGDALDH1A1
SCHEMBL10530352 0.75 AKR1C3 (0.71) MAPTMEN1KMT2AHPGDALDH1A1

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