SCHEMBL8710756

SCHEMBL8710756

COc1ccc(N2Cc3ncccc3C2=O)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
TP53 P04637 1/20 0.60
MAPT P10636 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
HTR2C P28335 5/20 0.49
UGCG Q16739 8/20 0.46
SHMT2 P34897 1/20 0.44
PIK3CG P48736 1/20 0.43
MCHR1 Q99705 2/20 0.43
PKM P14618 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
SCHEMBL8707865 0.89 MAPT (0.52) NPC1RAB9ATP53MAPTSMN1; SMN2
SCHEMBL8713322 0.88 MAPT (0.51) NPC1RAB9ATP53MAPTSMN1; SMN2
SCHEMBL8707686 0.83 NPC1 (0.46) NPC1RAB9ATP53MAPTSMN1; SMN2
SCHEMBL30057690 0.80 MAPT (0.49) NPC1RAB9ATP53MAPTSMN1; SMN2
SCHEMBL31068348 0.75 NPC1 (0.65) NPC1RAB9ATP53MAPTSMN1; SMN2
SCHEMBL8707789 0.75 PDE4A (0.44) MAPT
SCHEMBL8708977 0.74 HTR2C (0.49) NPC1RAB9ATP53SMN1; SMN2HTR2C
SCHEMBL8708166 0.73 HTR2C (0.48) NPC1RAB9AHTR2CPIK3CGMCHR1
SCHEMBL13113413 0.72 PDGFRB (0.47) NPC1RAB9ATP53MAPTHTR2C
SCHEMBL19422995 0.72 LMNA (0.49) NPC1RAB9ATP53SMN1; SMN2HTR2C

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-1998042666-A1 NOVEL 3,4-DIALKOXYPHENYL DERIVATIVES AND THE USE THEREOF DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 1998-10-01 WO disclosed