SCHEMBL7968895

SCHEMBL7968895

CC(=O)N(c1ccccc1)c1ncccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
RAB9A P51151 1/20 0.43
NPC1 O15118 1/20 0.42
PDE10A Q9Y233 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.40
TP53 P04637 2/20 0.40
FFAR1 O14842 1/20 0.39

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
SCHEMBL11013826 0.80 MEN1 (0.48) ALDH1A1MEN1KMT2ARAB9ANPC1
Hydrochloric Acid SCHEMBL10812344 0.78 MEN1 (0.47) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL7985647 0.78 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL10527436 0.78 ATM (0.43) ALDH1A1MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL6606178 0.78 PDE10A (0.46) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL7978954 0.77 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL7978926 0.77 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL9110691 0.75 LMNA (0.49) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL7978886 0.74 KMT2A (0.48) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL10811812 0.74 CYP2D6 (0.48) ALDH1A1MEN1KMT2ARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6235730-B1 ANTICHOLESTEROL AGENT, ANTILIPEMIC AGENT JAPAN TOBACCO, INC. (JP) 2001-05-22 US disclosed
CN-1252068-A 3-piperidyl-4-oxoquinazoline derivatives and pharmaceutical compositions containing the same JAPAN TOBACCO INC (JP) 2000-05-03 CN disclosed
EP-0970954-A1 3-PIPERIDYL-4-OXOQUINAZOLINE DERIVATIVES AND MEDICINCAL COMPOSITIONS CONTAINING THE SAME JAPAN TOBACCO INC. (JP) 2000-01-12 EP disclosed