SCHEMBL16627660

SCHEMBL16627660

O=c1[nH]c2ccccc2cc1Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.50
ALOX12 P18054 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CXCR2 P25025 1/20 0.48
GRIA1 P42261 2/20 0.47
GRIA2 P42262 2/20 0.47
GRIA3 P42263 2/20 0.47
GRIA4 P48058 2/20 0.47
KMT2A Q03164 5/20 0.47
POLB P06746 2/20 0.47
MEN1 O00255 4/20 0.46
NPC1 O15118 1/20 0.46
RIPK1 Q13546 1/20 0.45
MAPT P10636 3/20 0.45
GFER P55789 1/20 0.45
PARP1 P09874 1/20 0.45
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44

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
SCHEMBL16627639 0.82 PYGM (0.55) HPGDKMT2AMEN1NPC1MAPT
SCHEMBL7694809 0.82 HPGD (0.54) HPGDALOX12L3MBTL1CXCR2KMT2A
SCHEMBL16627647 0.80 DAO (0.54) HPGDKMT2AMEN1NPC1MAPT
SCHEMBL16627659 0.80 BRD4 (0.58) HPGDKMT2APOLBMEN1NPC1
SCHEMBL16627640 0.79 BRD4 (0.45) HPGDKMT2AMEN1NPC1MAPT
SCHEMBL16627822 0.77 MAPT (0.58) L3MBTL1KMT2APOLBMEN1NPC1
SCHEMBL16627631 0.77 BRD4 (0.43) HPGDKMT2AMEN1MAPTGAA
SCHEMBL16627633 0.77 BRD4 (0.46) HPGDKMT2AMEN1NPC1MAPT
SCHEMBL16627634 0.77 DAO (0.46) HPGDMAPTGAAKDM4EMAPK1
SCHEMBL8987068 0.76 KDR (0.54) GRIA1GRIA2GRIA3GRIA4KMT2A

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