SCHEMBL11245359

SCHEMBL11245359

O=[N+]([O-])c1cccc(OCc2ccc(Cl)nc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.51
MAPT P10636 4/20 0.50
RAB9A P51151 3/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAOA P21397 3/20 0.49
CHRNB2 P17787 2/20 0.48
CHRNA4 P43681 2/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
TLR4 O00206 1/20 0.45
TLR2 O60603 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL18304358 0.83 MAOB (0.62) MAOBMAPTRAB9ANPSR1MAOA
SCHEMBL11238714 0.83 MAPT (0.58) MAOBMAPTRAB9ANPSR1MEN1
SCHEMBL4321498 0.80 MAPT (0.65) MAOBMAPTRAB9ANPSR1MAOA
SCHEMBL11249195 0.79 MAPT (0.49) MAPTRAB9ANPSR1MEN1KMT2A
SCHEMBL2965418 0.79 MAOB (0.63) MAOBMAPTRAB9AMAOACHRNB2
SCHEMBL30443578 0.79 MAOB (0.63) MAOBMAPTRAB9AMAOACHRNB2
SCHEMBL21384019 0.79 RXRA (0.56) MAOBRAB9AMAOAKMT2ANPC1
SCHEMBL18429630 0.78 APP (0.59) MAOBMAPTRAB9ANPSR1MAOA
SCHEMBL9795659 0.78 MAOB (0.62) MAOBMAPTRAB9ANPSR1MAOA
SCHEMBL2960397 0.78 MAPT (0.66) MAOBMAPTRAB9ANPSR1MAOA

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-4332944-A Compositions and use ZOECON CORPORATION (US) 1982-06-01 US disclosed