SCHEMBL16627766

SCHEMBL16627766

C=Cc1ccc(NC(=O)c2cc3ccccc3[nH]c2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SMYD3 Q9H7B4 3/20 0.48
MAOB P27338 1/20 0.48
PADI4 Q9UM07 2/20 0.47
EGFR P00533 4/20 0.47
PIK3CA P42336 4/20 0.47
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
DAO P14920 1/20 0.42
DDO Q99489 1/20 0.42
KDM1A O60341 1/20 0.41
RCOR1 Q9UKL0 1/20 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
SCHEMBL6168742 0.85 NPC1 (0.66) NPC1RAB9ALMNASMN1; SMN2SMYD3
SCHEMBL30395353 0.85 NPC1 (0.66) NPC1RAB9ALMNASMN1; SMN2SMYD3
SCHEMBL486475 0.84 MAOB (0.56) NPC1RAB9ALMNASMN1; SMN2SMYD3
SCHEMBL34468802 0.83 MEN1 (0.54) NPC1RAB9ALMNASMN1; SMN2SMYD3
SCHEMBL16627755 0.83 MAOA (0.57) NPC1RAB9ALMNASMN1; SMN2SMYD3
SCHEMBL16627875 0.83 ADORA3 (0.53) NPC1RAB9ALMNASMN1; SMN2SMYD3
SCHEMBL21639712 0.82 MAOA (0.58) NPC1RAB9ALMNASMN1; SMN2SMYD3
SCHEMBL16627888 0.82 KDM4E (0.49) SMYD3MAOBPADI4KMT2AMEN1
SCHEMBL16627887 0.80 KDM4E (0.48) NPC1RAB9ASMYD3PADI4KMT2A
SCHEMBL34468752 0.80 MAOB (0.60) NPC1RAB9ALMNASMN1; SMN2SMYD3

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