SCHEMBL16627641

SCHEMBL16627641

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
NPC1 O15118 2/20 0.44
POLB P06746 1/20 0.44
BRD4 O60885 1/20 0.43
PARP1 P09874 1/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
GRIA1 P42261 1/20 0.42
GRIA2 P42262 1/20 0.42
GRIA3 P42263 1/20 0.42
GRIA4 P48058 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.41
ALDH1A1 P00352 1/20 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
MAPT P10636 2/20 0.41

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
SCHEMBL16627642 0.84 MEN1 (0.43) MEN1KMT2ANPC1POLBBRD4
SCHEMBL16627574 0.82 BRD4 (0.57) MEN1KMT2ABRD4GAAALDH1A1
SCHEMBL16627661 0.81 DAO (0.51) MEN1KMT2ABRD4ALDH1A1DAO
SCHEMBL16627800 0.81 BRD4 (0.47) MEN1KMT2ANPC1BRD4ALDH1A1
SCHEMBL16627578 0.81 BRD4 (0.47) MEN1KMT2ABRD4ALDH1A1MAPT
SCHEMBL16627801 0.81 BRD4 (0.47) MEN1KMT2ANPC1BRD4ALDH1A1
SCHEMBL16627799 0.79 BRD4 (0.45) MEN1KMT2ABRD4ALDH1A1MAPT
SCHEMBL16627847 0.78 ATM (0.50) MEN1KMT2ANPC1POLBPARP1
SCHEMBL16627651 0.78 BRD4 (0.44) MEN1KMT2ABRD4ALDH1A1DAO
SCHEMBL8987068 0.74 KDR (0.54) MEN1KMT2ANPC1POLBBRD4

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