SCHEMBL7004387

SCHEMBL7004387

O=[N+]([O-])c1cccc(OCOCCOCc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.51
CHRNA4 P43681 1/20 0.51
MAPT P10636 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
LMNA P02545 1/20 0.49
AR P10275 1/20 0.49
MAOB P27338 2/20 0.48
FAAH O00519 2/20 0.47
ALDH1A1 P00352 2/20 0.47
RAB9A P51151 1/20 0.47
CTSV O60911 3/20 0.47
CTSL P07711 3/20 0.47
MAOA P21397 1/20 0.46

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
SCHEMBL4747135 0.93 MAPT (0.55) CHRNB2CHRNA4MAPTMEN1KMT2A
SCHEMBL30443578 0.84 MAOB (0.63) CHRNB2CHRNA4MAPTMEN1KMT2A
SCHEMBL2965418 0.84 MAOB (0.63) CHRNB2CHRNA4MAPTMEN1KMT2A
SCHEMBL25920598 0.83 MAPT (0.62) MAPTMEN1KMT2ALMNAAR
SCHEMBL25920602 0.82 MAOB (0.64) CHRNB2CHRNA4MAPTMEN1KMT2A
SCHEMBL3402348 0.81 CHRNB2 (0.56) CHRNB2CHRNA4MAPTMEN1KMT2A
SCHEMBL16178929 0.80 CHRNB2 (0.64) CHRNB2CHRNA4MAPTLMNAMAOB
Hydroquinone SCHEMBL29014236 0.80 MAOB (0.61) MAPTMEN1KMT2ALMNAAR
SCHEMBL20303777 0.80 CHRNB2 (0.55) CHRNB2CHRNA4MAPTMEN1KMT2A
SCHEMBL6057213 0.79 CHRNB2 (0.61) CHRNB2CHRNA4MEN1KMT2AMAOB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1309551-A1 INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2003-05-14 EP disclosed
WO-2002014273-A1 INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS SMITHKLINE BEECHAM P.L.C. (GB) 2002-02-21 WO disclosed