SCHEMBL9249796

SCHEMBL9249796

O=[N+]([O-])c1cc(I)cc(OCc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
LMNA P02545 1/20 0.50
CTSV O60911 2/20 0.49
CTSL P07711 2/20 0.49
ALDH1A1 P00352 1/20 0.48
RAB9A P51151 1/20 0.48
AR P10275 1/20 0.47
MAOB P27338 4/20 0.47
MAOA P21397 2/20 0.47
APP P05067 1/20 0.46
TLR4 O00206 1/20 0.46
TLR2 O60603 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
SCHEMBL9599386 0.86 CNR2 (0.51) MAPTMEN1KMT2ARAB9AMAOB
SCHEMBL31664129 0.82 MAOB (0.58) MAPTMEN1KMT2ALMNACTSV
SCHEMBL15828886 0.82 MAOB (0.54) MAPTMEN1KMT2ALMNACTSV
SCHEMBL29502861 0.82 GRM5 (0.52) MAPTMEN1KMT2ALMNACTSV
SCHEMBL220992 0.82 MAOB (0.54) MAPTMEN1KMT2ALMNACTSV
SCHEMBL31413304 0.82 MAOB (0.54) MAPTMEN1KMT2ALMNACTSV
SCHEMBL4827989 0.82 CHRNB4 (0.54) MAPTMEN1KMT2ALMNACTSV
SCHEMBL18702823 0.82 GRM5 (0.52) MAPTMEN1KMT2ALMNACTSV
SCHEMBL21069359 0.82 MAOB (0.58) MAPTMEN1KMT2ALMNACTSV
SCHEMBL9221966 0.81 APP (0.62) MAPTMEN1KMT2ALMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1031266-C Process for preparation of heterocycle ether derivatives ZENECA LTD (GB) 1996-03-13 CN disclosed
US-5401751-A Enzyme inhibitors for 5-lipoxygenase ZENECA LIMITED (GB) 1995-03-28 US disclosed
US-5236919-A Inhibitorsof enzyme 5-lipoxygenase IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-17 US disclosed
US-5134148-A Heterocycles for use as inhibitors of leukotrienes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-28 US disclosed
CN-1046903-A Process for preparing heterocyclic ether derivatives ICI PLC (GB) 1990-11-14 CN disclosed
EP-0385662-A2 Heterocycles with inhibitory activity of 5-lipoxygenase ZENECA LIMITED (GB) 1990-09-05 EP disclosed