SCHEMBL9622247

SCHEMBL9622247

Nc1ccc(Nc2ccc(N3CCOCC3)cc2OC(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 17/20 0.52
MAPK1 P28482 4/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
PKM P14618 1/20 0.47
ALDH1A1 P00352 8/20 0.45
NPSR1 Q6W5P4 1/20 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
SCHEMBL9622925 0.90 ALDH1A1 (0.46) MAPTMAPK1MEN1KMT2ATDP1
SCHEMBL9622602 0.78 MAPT (0.53) MAPTMAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL9622901 0.78 L3MBTL1 (0.49) MAPTMAPK1MEN1KMT2ATDP1
SCHEMBL127397 0.78 MAPT (0.57) MAPTMAPK1MEN1KMT2ATDP1
SCHEMBL9622892 0.76 MAPT (0.56) MAPTMAPK1MEN1KMT2ATDP1
SCHEMBL9622919 0.76 MAPT (0.46) MAPTMAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL6135331 0.75 MAPT (0.50) MAPTMAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL9623030 0.75 MAPT (0.52) MAPTMAPK1MEN1KMT2ATDP1
SCHEMBL28543908 0.73 MAPT (0.62) MAPTMAPK1SMN1; SMN2PKMALDH1A1
SCHEMBL9623039 0.73 L3MBTL1 (0.48) MAPTMAPK1MEN1KMT2ASMN1; 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