SCHEMBL8107611

SCHEMBL8107611

O=[N+]([O-])c1ccc(NCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.60
POLB P06746 3/20 0.60
PKM P14618 2/20 0.60
KDM4E B2RXH2 2/20 0.60
ALDH1A1 P00352 3/20 0.59
KAT2B Q92831 3/20 0.56
KMT2A Q03164 3/20 0.55
MAPK1 P28482 3/20 0.55
MEN1 O00255 2/20 0.55
TDP1 Q9NUW8 1/20 0.53
BCHE P06276 1/20 0.53
ACHE P22303 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
GPR35 Q9HC97 1/20 0.52

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
SCHEMBL8147273 0.93 MAPT (0.65) MAPTPOLBPKMKDM4EALDH1A1
SCHEMBL9663877 0.92 MAPT (0.56) MAPTPOLBPKMKDM4EALDH1A1
SCHEMBL10622798 0.91 KAT2B (0.72) MAPTPOLBPKMKDM4EALDH1A1
SCHEMBL6745448 0.90 MAPT (0.59) MAPTPOLBPKMKDM4EALDH1A1
SCHEMBL14063303 0.90 HCAR3 (0.65) MAPTPOLBPKMKDM4EALDH1A1
SCHEMBL29375013 0.90 KAT2B (0.58) MAPTPOLBPKMKDM4EALDH1A1
SCHEMBL502704 0.90 KAT2B (0.58) MAPTPOLBPKMKDM4EALDH1A1
SCHEMBL563763 0.90 PKM (0.67) MAPTPOLBPKMKDM4EALDH1A1
SCHEMBL891444 0.90 MAPT (0.55) MAPTPOLBPKMKDM4EALDH1A1
SCHEMBL2228520 0.89 KAT2B (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 3 patents. 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
EP-0970041-A1 NEW DIAMINOALKANE AND OXIDATION DYEING AGENT Hans Schwarzkopf GmbH & Co. KG (DE) 2000-01-12 EP disclosed
WO-1998001418-A1 NEW DIAMINOALKANE AND OXIDATION DYEING AGENT HANS SCHWARZKOPF GMBH & CO.KG (DE) 1998-01-15 WO disclosed