SCHEMBL16627769

SCHEMBL16627769

O=C(NCc1ccc([N+](=O)[O-])cc1)c1cc2ccccc2n(Cc2ccc(I)cc2)c1=O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.47
CNR2 P34972 4/20 0.47
P2RX4 Q99571 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
PPARG P37231 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ADORA2A P29274 1/20 0.43
SRC P12931 1/20 0.43
PRKACA P17612 1/20 0.43
PRKACG P22612 1/20 0.43
PRKACB P22694 1/20 0.43
NOX4 Q9NPH5 1/20 0.43
F10 P00742 2/20 0.42
CFTR P13569 1/20 0.42

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
SCHEMBL16627771 0.91 SMN1; SMN2 (0.45) CNR1CNR2P2RX4SMN1; SMN2PPARG
SCHEMBL16627775 0.80 CNR1 (0.49) CNR1CNR2P2RX4SMN1; SMN2KMT2A
SCHEMBL16627882 0.76 KMT2A (0.43) SMN1; SMN2PPARGKMT2AMEN1ADORA2A
SCHEMBL16627835 0.74 CNR1 (0.48) CNR1CNR2KMT2AMEN1F10
SCHEMBL16627772 0.74 RAB9A (0.47) CNR1CNR2SMN1; SMN2KMT2AMEN1
SCHEMBL34468871 0.71 SMN1; SMN2 (0.52) SMN1; SMN2KMT2AMEN1ADORA2A
SCHEMBL16627636 0.71 SMN1; SMN2 (0.51) CNR1CNR2P2RX4SMN1; SMN2KMT2A
SCHEMBL16627773 0.71 NR2F2 (0.50) CNR1CNR2PPARGKMT2AMEN1
SCHEMBL16627883 0.71 SMN1; SMN2 (0.43) CNR1CNR2SMN1; SMN2
SCHEMBL7877728 0.70 KMT2A (0.64) P2RX4KMT2AF10

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