SCHEMBL24316414

SCHEMBL24316414

COc1ccc(COc2ncc(O)cc2C)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.48
APP P05067 5/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
CYP17A1 P05093 1/20 0.45
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAOB P27338 2/20 0.44
PDE2A O00408 1/20 0.44
CSF1R P07333 1/20 0.43
CALM1 P0DP23 2/20 0.43
FFAR1 O14842 1/20 0.42
IDO1 P14902 1/20 0.42
AGXT P21549 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
SCHEMBL21327653 0.85 CSF1R (0.54) APPCNR1CNR2NPC1POLB
SCHEMBL24316413 0.84 APP (0.45) APPCNR1CNR2NPC1POLB
SCHEMBL19461724 0.81 CSF1R (0.46) APPCNR1CNR2NPC1POLB
SCHEMBL24316415 0.80 CNR1 (0.47) APPCNR1CNR2NPC1POLB
SCHEMBL19555332 0.76 CYP3A4 (0.37) POLB
SCHEMBL24316420 0.76 MAOB (0.45) NPC1POLBRAB9ASMN1; SMN2MAOB
SCHEMBL24317098 0.76 APP (0.51) APPNPC1POLBRAB9ASMN1; SMN2
SCHEMBL31402943 0.75 APP (0.51) APPNPC1POLBRAB9ASMN1; SMN2
SCHEMBL19527337 0.75 NPC1 (0.57) TLR8APPCNR1CNR2CYP17A1
SCHEMBL26326725 0.75 CSF1R (0.59) APPCNR1CNR2NPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022057895-A1 HETEROAROMATIC COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2022-03-24 WO disclosed
US-9585884-B2 Pyrimidinone inhibitors of lipoprotein-associated phospholipase A2 AUSPEX PHARMACEUTICALS, INC. (US) 2017-03-07 US disclosed