SCHEMBL8147273

SCHEMBL8147273

O=[N+]([O-])c1ccc(NCCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.65
POLB P06746 3/20 0.65
PKM P14618 2/20 0.65
KDM4E B2RXH2 1/20 0.65
ALDH1A1 P00352 2/20 0.64
PRSS1 P07477 4/20 0.60
KAT2B Q92831 4/20 0.57
MAPK1 P28482 2/20 0.56
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HCAR3 P49019 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL8107611 0.93 MAPT (0.60) MAPTPOLBPKMKDM4EALDH1A1
SCHEMBL6233037 0.91 ALDH1A1 (0.67) MAPTPOLBPKMKDM4EALDH1A1
SCHEMBL14294847 0.91 MAPT (0.69) MAPTPOLBPKMKDM4EALDH1A1
SCHEMBL10622798 0.91 KAT2B (0.72) MAPTPOLBPKMKDM4EALDH1A1
SCHEMBL29306545 0.89 HCAR3 (0.67) MAPTPOLBPKMKDM4EALDH1A1
SCHEMBL2228520 0.89 KAT2B (0.66) MAPTPOLBPKMKDM4EALDH1A1
SCHEMBL8744502 0.89 MAPT (0.58) MAPTPOLBPKMKDM4EALDH1A1
SCHEMBL30413993 0.88 KAT2B (0.64) MAPTPOLBPKMKDM4EALDH1A1
SCHEMBL10428098 0.88 HCAR3 (0.66) MAPTPOLBPKMKDM4EALDH1A1
SCHEMBL20968369 0.88 HCAR3 (0.66) MAPTPOLBPKMKDM4EALDH1A1

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
US-6024768-A HUMAN HAIR COLORING; HAIR CONDITIONERS HANS SCHWARZKOPF GMBH & CO. KG (DE) 2000-02-15 US disclosed