SCHEMBL23765083

SCHEMBL23765083

c1ccc2c(c1)-c1c(Nc3ccc(-c4ccc5sc6ccccc6c5c4)cc3)cccc1C21c2ccccc2-c2c1ccc1ccccc21

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
CDC25B P30305 1/20 0.33
ATM Q13315 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.32
PTGIR P43119 1/20 0.31
RAB9A P51151 1/20 0.31
MAPK14 Q16539 1/20 0.31
IDO1 P14902 2/20 0.30

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
SCHEMBL21665622 0.83 PTGIR (0.42) ALDH1A1HPGDMAPTPTGIRRAB9A
SCHEMBL21665489 0.83 RIPK2 (0.36) PTGIR
SCHEMBL21446457 0.83 MAPT (0.35) ALDH1A1HPGDMAPTPTGIRRAB9A
SCHEMBL23765093 0.82 PDK2 (0.33)
SCHEMBL19660343 0.81 PTGIR (0.38) ALDH1A1MAPTPTGIR
SCHEMBL14902268 0.79 HSD17B10 (0.53) ALDH1A1TP53CYP3A4HPGDALOX15
SCHEMBL21665688 0.79 MAPT (0.39) ALDH1A1HPGDMAPTPTGIRRAB9A
SCHEMBL25561590 0.79 FABP3 (0.37) ALDH1A1CYP3A4HPGDHSD17B10MAPT
SCHEMBL22000734 0.78 ALDH1A1 (0.51) ALDH1A1TP53CYP3A4HPGDALOX15
SCHEMBL21665697 0.78 IDO1 (0.32) MAPTIDO1

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-2021162384-A1 COMPOUND FOR ORGANIC ELECTRIC DEVICE, ORGANIC ELECTRIC DEVICE USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-08-19 WO disclosed