SCHEMBL6232184

SCHEMBL6232184

O=[N+]([O-])c1ccc(NCCN2CCCC2)c([N+](=O)[O-])c1

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.68
POLB P06746 1/20 0.68
PKM P14618 1/20 0.68
ALDH1A1 P00352 2/20 0.51
HDAC1 Q13547 1/20 0.51
HRH3 Q9Y5N1 3/20 0.50
KDM4E B2RXH2 3/20 0.50
LMNA P02545 2/20 0.50
GAA P10253 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
RAB9A P51151 1/20 0.48

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
SCHEMBL2326316 0.85 PKM (0.61) MAPTPOLBPKMHDAC1HRH3
SCHEMBL15544925 0.84 MAPT (0.50) MAPTPOLBPKMALDH1A1HRH3
SCHEMBL8107611 0.82 MAPT (0.60) MAPTPOLBPKMALDH1A1KDM4E
SCHEMBL5257974 0.82 ALDH1A1 (0.65) MAPTPOLBPKMALDH1A1GAA
SCHEMBL28183332 0.82 HCAR3 (0.65) MAPTALDH1A1HDAC1KDM4E
SCHEMBL16690122 0.82 KAT2B (0.56) MAPTALDH1A1HRH3LMNASMN1; SMN2
SCHEMBL21531168 0.81 MAPT (0.75) MAPTPOLBPKMALDH1A1HRH3
SCHEMBL5550215 0.81 KAT2B (0.55) MAPTALDH1A1HRH3SMN1; SMN2RAB9A
SCHEMBL8147273 0.79 MAPT (0.65) MAPTPOLBPKMALDH1A1KDM4E
SCHEMBL3998819 0.79 LMNA (0.54) MAPTPOLBPKMALDH1A1HDAC1

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
WO-2004092181-A9 HETEROCYCLIC MCHR1 ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-01-27 WO disclosed