SCHEMBL24155693

SCHEMBL24155693

c1ccc(-c2ccc(Nc3ccc4ocnc4c3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
PRKD1 Q15139 2/20 0.47
DYRK1A Q13627 1/20 0.45
CTNNB1 P35222 1/20 0.43
WNT3A P56704 1/20 0.43
PIK3CD O00329 1/20 0.42
TRPM5 Q9NZQ8 1/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
EPHX2 P34913 1/20 0.41
ALK Q9UM73 1/20 0.39
RIPK2 O43353 1/20 0.39
RIPK3 Q9Y572 1/20 0.39
FLT1 P17948 1/20 0.39
NAMPT P43490 1/20 0.39
TGFBR1 P36897 1/20 0.38

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
SCHEMBL24156019 0.91 NPC1 (0.52) NPC1RAB9ASMN1; SMN2PRKD1DYRK1A
SCHEMBL29375136 0.83 DYRK1A (0.62) NPC1RAB9ASMN1; SMN2DYRK1ACTNNB1
SCHEMBL592989 0.83 DYRK1A (0.62) NPC1RAB9ASMN1; SMN2DYRK1ACTNNB1
SCHEMBL24156171 0.83 DYRK1A (0.51) NPC1RAB9ASMN1; SMN2PRKD1DYRK1A
SCHEMBL24586987 0.81 NPC1 (0.57) NPC1RAB9ASMN1; SMN2PRKD1DYRK1A
SCHEMBL3948110 0.81 RAB9A (0.54) NPC1RAB9ASMN1; SMN2PRKD1DYRK1A
SCHEMBL28209001 0.81 NPC1 (0.49) NPC1RAB9ASMN1; SMN2PRKD1DYRK1A
SCHEMBL24155698 0.79 NPC1 (0.66) NPC1RAB9ASMN1; SMN2PRKD1DYRK1A
SCHEMBL24586979 0.77 NPC1 (0.52) NPC1RAB9ASMN1; SMN2PRKD1DYRK1A
SCHEMBL24155409 0.76 DYRK1A (0.44) NPC1RAB9ASMN1; SMN2PRKD1DYRK1A

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-2021261851-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME ORGANIC ELECTRIC ELEMENT 덕산네오룩스 주식회사 2021-12-30 WO disclosed