SCHEMBL25568704

SCHEMBL25568704

c1ccc(-c2ccc(Nc3cccc(-c4cccc5ccccc45)c3)cc2-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
MAPT P10636 4/20 0.46
HPGD P15428 4/20 0.42
HSD17B10 Q99714 3/20 0.42
CYP3A4 P08684 2/20 0.42
MCL1 Q07820 1/20 0.41
ACMSD Q8TDX5 1/20 0.41
TP53 P04637 2/20 0.41
TSHR P16473 2/20 0.41
ATM Q13315 2/20 0.41
ALOX15 P16050 1/20 0.41
CDC25B P30305 1/20 0.41
TNF P01375 1/20 0.41
KDM4E B2RXH2 3/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 2/20 0.40

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
SCHEMBL25568762 0.94 ALDH1A1 (0.47) ALDH1A1MAPTHPGDHSD17B10CYP3A4
SCHEMBL29473515 0.92 ALDH1A1 (0.47) ALDH1A1MAPTHPGDHSD17B10CYP3A4
SCHEMBL25247724 0.92 ALDH1A1 (0.47) ALDH1A1MAPTHPGDHSD17B10CYP3A4
SCHEMBL30545206 0.92 ALDH1A1 (0.47) ALDH1A1MAPTHPGDHSD17B10CYP3A4
SCHEMBL28976227 0.91 CA12 (0.47) ALDH1A1MAPTHPGDHSD17B10CYP3A4
SCHEMBL31245652 0.91 CA12 (0.47) ALDH1A1MAPTHPGDHSD17B10CYP3A4
SCHEMBL27012232 0.91 ALDH1A1 (0.49) ALDH1A1MAPTHPGDHSD17B10CYP3A4
SCHEMBL25568946 0.91 ALDH1A1 (0.48) ALDH1A1MAPTHPGDHSD17B10CYP3A4
SCHEMBL25568763 0.90 ALDH1A1 (0.49) ALDH1A1MAPTHPGDHSD17B10CYP3A4
SCHEMBL25568766 0.89 ALDH1A1 (0.47) ALDH1A1MAPTHPGDHSD17B10CYP3A4

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-2023096209-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2023-06-01 WO disclosed