SCHEMBL9622892

SCHEMBL9622892

COc1ccc(Nc2ccc(N)cc2[N+](=O)[O-])c(OC(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.56
MEN1 O00255 3/20 0.56
HPGD P15428 3/20 0.56
KMT2A Q03164 3/20 0.56
AKR1C3 P42330 5/20 0.56
AKR1C2 P52895 5/20 0.56
AKR1B10 O60218 2/20 0.51
AKR1B1 P15121 2/20 0.51
AKR1C4 P17516 2/20 0.51
AKR1C1 Q04828 2/20 0.51
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPK1 P28482 3/20 0.49
GAA P10253 2/20 0.49
KCNMA1 Q12791 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
LMNA P02545 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL9623030 0.87 MAPT (0.52) MAPTMEN1HPGDKMT2AAKR1C3
SCHEMBL9622602 0.86 MAPT (0.53) MAPTMEN1HPGDKMT2AAKR1C3
SCHEMBL6135331 0.85 MAPT (0.50) MAPTMEN1HPGDKMT2AAKR1C3
SCHEMBL9622919 0.84 MAPT (0.46) MAPTMEN1HPGDKMT2AAKR1C3
SCHEMBL9622901 0.84 L3MBTL1 (0.49) MAPTMEN1HPGDKMT2AAKR1C3
SCHEMBL10530352 0.84 AKR1C3 (0.71) MAPTMEN1HPGDKMT2AAKR1C3
SCHEMBL127397 0.83 MAPT (0.57) MAPTMEN1HPGDKMT2AAKR1C3
SCHEMBL9623039 0.78 L3MBTL1 (0.48) MAPTMEN1HPGDKMT2AAKR1C3
SCHEMBL9622925 0.78 ALDH1A1 (0.46) MAPTMEN1HPGDKMT2AALDH1A1
SCHEMBL9622247 0.76 MAPT (0.52) MAPTMEN1KMT2AALDH1A1SMN1; SMN2

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