SCHEMBL30876508

SCHEMBL30876508

COc1ccc(COc2cccnc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.60
MAPT P10636 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
NPC1 O15118 2/20 0.55
TDP1 Q9NUW8 1/20 0.54
APP P05067 5/20 0.53
NOS1 P29475 1/20 0.52
NOS2 P35228 1/20 0.52
MAOB P27338 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPK1 P28482 1/20 0.51
DRD4 P21917 1/20 0.51
CHRNB2 P17787 1/20 0.50
CHRNA4 P43681 1/20 0.50

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
SCHEMBL12292103 0.85 RAB9A (0.61) RAB9AMAPTNPSR1NOS1NOS2
SCHEMBL8361615 0.85 MAPK1 (0.56) RAB9ANPC1TDP1APPMAOB
SCHEMBL7539917 0.83 RAB9A (0.60) RAB9AMAPTNPSR1NPC1TDP1
SCHEMBL3938617 0.83 MAOB (0.52) RAB9AMAPTNPSR1NPC1TDP1
SCHEMBL30150593 0.82 RAB9A (0.62) RAB9AMAPTNPSR1NOS1NOS2
SCHEMBL1323646 0.82 RAB9A (0.62) RAB9AMAPTNPSR1NOS1NOS2
SCHEMBL24932986 0.81 RAB9A (0.61) RAB9AMAPTNPSR1NPC1APP
SCHEMBL9791457 0.81 MAPT (0.61) RAB9AMAPTNPSR1APPNOS1
SCHEMBL7154078 0.81 RAB9A (0.61) RAB9AMAPTNPSR1NPC1APP
SCHEMBL30896277 0.81 RAB9A (0.61) RAB9AMAPTNPSR1NPC1APP

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
CN-117957231-A Fused ring compound, preparation method and application thereof 上海艾力斯医药科技股份有限公司 2024-04-30 CN disclosed