SCHEMBL9064572

SCHEMBL9064572

[CH2]CCc1cc(OCc2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
ATM Q13315 1/20 0.52
BACE1 P56817 1/20 0.48
AR P10275 2/20 0.46
CTSV O60911 2/20 0.46
CTSL P07711 2/20 0.46
MAOB P27338 3/20 0.45
TLR4 O00206 1/20 0.45
TLR2 O60603 1/20 0.45
MAOA P21397 1/20 0.45
PTGES O14684 1/20 0.44
ALOX5 P09917 1/20 0.44
MAPT P10636 2/20 0.44
FFAR1 O14842 1/20 0.43

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
SCHEMBL28855630 0.84 MEN1 (0.51) MEN1KMT2ANPC1RAB9AATM
SCHEMBL29901207 0.84 BACE1 (0.53) MEN1KMT2ANPC1RAB9AATM
SCHEMBL29901056 0.84 MEN1 (0.51) MEN1KMT2ANPC1RAB9AATM
SCHEMBL14191577 0.84 BACE1 (0.53) MEN1KMT2ANPC1RAB9AATM
SCHEMBL7448632 0.84 MEN1 (0.49) MEN1KMT2ANPC1RAB9AATM
SCHEMBL14355554 0.83 BACE1 (0.50) MEN1KMT2ANPC1RAB9AATM
SCHEMBL1663438 0.82 MEN1 (0.57) MEN1KMT2ANPC1RAB9AATM
SCHEMBL30832846 0.82 MEN1 (0.57) MEN1KMT2ANPC1RAB9AATM
SCHEMBL5164310 0.82 BACE1 (0.54) MEN1KMT2ANPC1RAB9AATM
SCHEMBL27544439 0.81 MEN1 (0.51) MEN1KMT2ANPC1RAB9AATM

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
EP-0733033-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-09-25 EP claimed