SCHEMBL16627847

SCHEMBL16627847

CN(C(=O)c1cc2ccccc2[nH]c1=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.50
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAOB P27338 1/20 0.42
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.40
PADI4 Q9UM07 1/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
PARP1 P09874 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
SCHEMBL16627849 0.85 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL3644717 0.85 MAOB (0.56) ALDH1A1SMN1; SMN2MEN1KMT2AMAOB
SCHEMBL16627895 0.84 MEN1 (0.58) ALDH1A1SMN1; SMN2MEN1KMT2AMAOB
SCHEMBL16627620 0.83 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MEN1KMT2AMAOB
SCHEMBL16627846 0.81 KDM4E (0.50) ALDH1A1SMN1; SMN2MEN1KMT2AMAOB
SCHEMBL16627840 0.81 MEN1 (0.46) ALDH1A1SMN1; SMN2MEN1KMT2AMAOB
SCHEMBL16627851 0.81 MEN1 (0.46) ALDH1A1SMN1; SMN2MEN1KMT2AMAOB
SCHEMBL16627641 0.78 MEN1 (0.44) ATMALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7349368 0.77 BRD4 (0.53) ALDH1A1SMN1; SMN2MEN1KMT2APADI4
SCHEMBL16627822 0.76 MAPT (0.58) ALDH1A1SMN1; SMN2MEN1KMT2AMAOB

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
WO-2015050379-A1 NOVEL QUINOLINONE DERIVATIVE AND USE THEREOF 광주과학기술원 2015-04-09 WO disclosed