SCHEMBL16627642

SCHEMBL16627642

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
NPC1 O15118 2/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 4/20 0.41
CRHBP P24387 1/20 0.41
ATM Q13315 1/20 0.41
CRHR2 Q13324 1/20 0.41
TLR9 Q9NR96 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
APAF1 O14727 1/20 0.41
CASP3 P42574 1/20 0.41
CASP6 P55212 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
ALOX5 P09917 1/20 0.41
BRD4 O60885 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
SCHEMBL16627632 0.85 APAF1 (0.55) MEN1KMT2AALDH1A1APAF1CASP3
SCHEMBL16627641 0.84 MEN1 (0.44) MEN1KMT2AGAAPKMNPC1
SCHEMBL16627798 0.84 BRD4 (0.45) MEN1KMT2AALDH1A1APAF1CASP3
SCHEMBL16627566 0.83 BRD4 (0.44) MEN1KMT2AALDH1A1APAF1CASP3
SCHEMBL16627812 0.83 DAO (0.48) MEN1KMT2AALDH1A1APAF1CASP3
SCHEMBL16627811 0.83 BRD4 (0.44) MEN1KMT2ANPC1ALDH1A1L3MBTL1
SCHEMBL16627648 0.81 KDM4E (0.44) MEN1KMT2AALDH1A1APAF1CASP3
SCHEMBL16627565 0.81 ALDH1A1 (0.56) MEN1KMT2AGAANPC1POLB
SCHEMBL16627649 0.81 APAF1 (0.42) MEN1KMT2AALDH1A1APAF1CASP3
SCHEMBL16627849 0.77 ALDH1A1 (0.57) MEN1KMT2AGAANPC1ALDH1A1

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