SCHEMBL28067324

SCHEMBL28067324

Cn1nc(-c2cccc(Cl)c2)cc1I

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
F2RL3 Q96RI0 1/20 0.44
PTGS2 P35354 1/20 0.42
PDE7A Q13946 1/20 0.41
FYN P06241 2/20 0.41
DYRK3 O43781 2/20 0.41
DYRK1A Q13627 2/20 0.41
TLR8 Q9NR97 1/20 0.41
MAPK13 O15264 1/20 0.41
MAP4K4 O95819 1/20 0.41
PIM1 P11309 1/20 0.41
FGFR1 P11362 1/20 0.41
SRC P12931 1/20 0.41
CSNK1D P48730 1/20 0.41
CLK2 P49760 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
SCHEMBL4765637 0.81 MAPT (0.48) IDO1NPC1GAAMAPTRAB9A
SCHEMBL17295620 0.80 IDO1 (0.44) IDO1NPC1GAAMAPTMAPK1
SCHEMBL16664764 0.80 IDO1 (0.44) IDO1NPC1GAAMAPTMAPK1
SCHEMBL28067323 0.76 NMT1 (0.43) MAPTFYN
SCHEMBL10958055 0.75 KMO (0.50)
SCHEMBL9389147 0.74 KMT2A (0.60) IDO1NPC1GAAMAPTMAPK1
SCHEMBL17948716 0.72 MMP2 (0.42) IDO1MAPTPTGS2FYN
SCHEMBL10960418 0.72 CA12 (0.47) F2RL3
SCHEMBL23539461 0.69 CYP2E1 (0.56) IDO1NPC1MAPTRAB9AF2RL3
SCHEMBL30042352 0.69 CYP2E1 (0.56) IDO1NPC1MAPTRAB9AF2RL3

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-103153999-B Compounds as cannabinoid receptor-1 inhibitors AMOREPACIFIC CORP. (KR) 2016-06-01 CN disclosed