SCHEMBL16627636

SCHEMBL16627636

O=C(NCCc1ccccc1)c1cc2c([N+](=O)[O-])cccc2n(Cc2ccc([N+](=O)[O-])cc2)c1=O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
TAAR1 Q96RJ0 1/20 0.51
MAPT P10636 2/20 0.50
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
CCR2 P41597 1/20 0.47
P2RX4 Q99571 1/20 0.47
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
P2RX7 Q99572 1/20 0.46
PLCG2 P16885 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
KDM1A O60341 1/20 0.44
MAOA P21397 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
SCHEMBL16627655 0.94 NPC1 (0.52) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL16627643 0.93 NPC1 (0.51) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL16627738 0.93 NPC1 (0.58) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL16627736 0.92 NPC1 (0.50) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL16627577 0.92 CNR1 (0.56) SMN1; SMN2NPC1RAB9AALDH1A1CCR2
SCHEMBL16627653 0.92 NPC1 (0.50) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL16627637 0.90 NPC1 (0.48) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL16627654 0.90 NPC1 (0.48) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL16627684 0.89 PLCG2 (0.48) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL16627679 0.87 NPC1 (0.58) SMN1; SMN2NPC1RAB9AMAPTALDH1A1

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