SCHEMBL16826558

SCHEMBL16826558

COc1ccc(-c2cc3ccc(N4CCNCC4)cc3oc2=O)cc1OC.COc1cccc(-c2cc3ccc(N4C[C@@H](C)N[C@@H](C)C4)cc3oc2=O)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
ATM Q13315 1/20 0.44
TLR9 Q9NR96 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ERAP1 Q9NZ08 1/20 0.44
GHSR Q92847 7/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
TGFBR1 P36897 2/20 0.41
ACVR1 Q04771 2/20 0.41
MAPT P10636 3/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RCE1 Q9Y256 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL15065778 0.87 MAOB (0.43) NPC1GHSRMAOBRAB9A
SCHEMBL15066426 0.86 NPC1 (0.58) NPC1ATMTLR9TDP1ERAP1
SCHEMBL15066288 0.84 ALK (0.46) NPC1ATMMAOBMAPTRAB9A
SCHEMBL15067156 0.83 NPC1 (0.61) NPC1ATMTLR9TDP1ERAP1
SCHEMBL15067260 0.82 MAOB (0.41) NPC1ATMGHSRMAOBMAPT
SCHEMBL15066137 0.82 MAOB (0.41) NPC1ATMGHSRMAOBMAPT
SCHEMBL15066761 0.81 NPC1 (0.56) NPC1ATMTLR9TDP1ERAP1
SCHEMBL15067015 0.81 NPC1 (0.56) NPC1ATMTLR9TDP1ERAP1
SCHEMBL21301374 0.79 NPC1 (0.48) NPC1ATMTLR9TDP1ERAP1
SCHEMBL15065920 0.79 NPC1 (0.48) NPC1ATMTLR9TDP1ERAP1

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-2015095449-A1 METHODS FOR MODULATING THE AMOUNT RNA TRANSCRIPTS PTC THERAPEUTICS, INC. (US) 2015-06-25 WO claimed