SCHEMBL9769387

SCHEMBL9769387

CC(C#N)Cc1cc(OCc2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
BACE1 P56817 1/20 0.44
SGMS2 Q8NHU3 1/20 0.43
MAOB P27338 5/20 0.43
MAPT P10636 2/20 0.42
AR P10275 1/20 0.42
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41
TLR4 O00206 1/20 0.40
TLR2 O60603 1/20 0.40
MAOA P21397 1/20 0.40

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
SCHEMBL8388636 0.82 ALDH1A1 (0.55) MEN1KMT2ANPC1RAB9AATM
SCHEMBL7082719 0.82 BACE1 (0.51) MEN1KMT2ANPC1RAB9AATM
SCHEMBL7448632 0.80 MEN1 (0.49) MEN1KMT2ANPC1RAB9AATM
SCHEMBL29901056 0.78 MEN1 (0.51) MEN1KMT2ANPC1RAB9AATM
SCHEMBL14191577 0.78 BACE1 (0.53) MEN1KMT2ANPC1RAB9AATM
SCHEMBL28855630 0.78 MEN1 (0.51) MEN1KMT2ANPC1RAB9AATM
SCHEMBL29901207 0.78 BACE1 (0.53) MEN1KMT2ANPC1RAB9AATM
SCHEMBL1336543 0.77 MAOB (0.65) MEN1KMT2ANPC1RAB9AATM
SCHEMBL3912470 0.77 SGMS2 (0.47) MEN1KMT2ANPC1RAB9AATM
SCHEMBL6598985 0.76 TSHR (0.49) 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
US-5034015-A Fade resistant hair dyes with better coloring ability L'OREAL (FR) 1991-07-23 US disclosed