SCHEMBL7921889

SCHEMBL7921889

Cc1cccc(OCc2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.68
MAOA P21397 4/20 0.62
TSHR P16473 1/20 0.58
ACHE P22303 1/20 0.58
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C19 P33261 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54

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
SCHEMBL13483786 0.87 MAOB (0.67) MAOBMAOATSHRACHEMEN1
SCHEMBL6599866 0.85 MAOB (0.68) MAOBMAOATSHRMEN1KMT2A
SCHEMBL31634199 0.84 MAOB (0.60) MAOBMAOAMEN1KMT2A
SCHEMBL13192710 0.84 MAOB (0.70) MAOBMAOATSHRCYP1A2CYP2D6
SCHEMBL9795659 0.84 MAOB (0.62) MAOBMAOATSHRACHEMEN1
SCHEMBL810682 0.83 MAOB (0.67) MAOBMAOAMEN1KMT2A
SCHEMBL4639987 0.83 MAOB (0.64) MAOBMAOATSHRCYP1A2CYP2D6
SCHEMBL25920602 0.82 MAOB (0.64) MAOBMAOAMEN1KMT2A
SCHEMBL24696857 0.82 MAOB (0.62) MAOBMAOAACHECYP1A2CYP2D6
SCHEMBL30443578 0.82 MAOB (0.63) MAOBMAOAMEN1KMT2A

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-6221877-B1 IN PARTICULAR BOVINE TRICHOMONIASIS AND GIARDIASIS REGENTS OF THE UNIVERSITY OF CALIFORNIA 2001-04-24 US disclosed