SCHEMBL16627822

SCHEMBL16627822

O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc2ccccc2[nH]c1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
RAB9A P51151 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
NPC1 O15118 3/20 0.54
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
POLB P06746 4/20 0.52
MITF O75030 1/20 0.52
HTT P42858 2/20 0.51
ALDH1A1 P00352 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
F12 P00748 1/20 0.51
LMNA P02545 3/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
TNF P01375 1/20 0.49
POLA1 P09884 1/20 0.49
THRB P10828 1/20 0.49
NOD1 Q9Y239 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL6168742 0.84 NPC1 (0.66) RAB9ASMN1; SMN2NPC1POLBF12
SCHEMBL30395353 0.84 NPC1 (0.66) RAB9ASMN1; SMN2NPC1POLBF12
SCHEMBL27015077 0.83 F12 (0.49) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL486475 0.83 MAOB (0.56) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL34468871 0.82 SMN1; SMN2 (0.52) MAPTSMN1; SMN2MEN1KMT2APOLB
SCHEMBL34468802 0.82 MEN1 (0.54) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL16627875 0.82 ADORA3 (0.53) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL16627755 0.82 MAOA (0.57) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL21639712 0.81 MAOA (0.58) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL34468752 0.79 MAOB (0.60) MAPTRAB9ASMN1; SMN2NPC1MEN1

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