SCHEMBL25569014

SCHEMBL25569014

c1ccc(Nc2ccccc2-c2cc3ccccc3c3ccccc23)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
CDC25B P30305 5/20 0.58
HPGD P15428 5/20 0.58
HSD17B10 Q99714 5/20 0.58
CYP3A4 P08684 3/20 0.58
TSHR P16473 2/20 0.58
TP53 P04637 1/20 0.58
ALOX15 P16050 1/20 0.58
ATM Q13315 1/20 0.58
MAPT P10636 5/20 0.53
KDM4E B2RXH2 5/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
RECQL P46063 2/20 0.53
GAA P10253 2/20 0.53
GLA P06280 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
FADS1 O60427 1/20 0.45
MAPK1 P28482 2/20 0.44
HIF1A Q16665 2/20 0.44

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
SCHEMBL26033871 0.90 ALDH1A1 (0.47) ALDH1A1CDC25BHPGDHSD17B10CYP3A4
SCHEMBL3632136 0.89 ALDH1A1 (0.46) ALDH1A1CDC25BHPGDHSD17B10CYP3A4
SCHEMBL26021738 0.88 ALDH1A1 (0.44) ALDH1A1CDC25BHPGDHSD17B10CYP3A4
SCHEMBL20311846 0.86 ALDH1A1 (0.51) ALDH1A1CDC25BHPGDHSD17B10CYP3A4
SCHEMBL24029633 0.85 CDC25B (0.52) ALDH1A1CDC25BHPGDHSD17B10CYP3A4
SCHEMBL23822207 0.84 CDC25B (0.51) ALDH1A1CDC25BHPGDHSD17B10CYP3A4
SCHEMBL26021732 0.84 CDC25B (0.51) ALDH1A1CDC25BHPGDHSD17B10CYP3A4
SCHEMBL24949597 0.84 ALDH1A1 (0.49) ALDH1A1CDC25BHPGDHSD17B10CYP3A4
SCHEMBL26021757 0.84 CDC25B (0.51) ALDH1A1CDC25BHPGDHSD17B10CYP3A4
SCHEMBL31440468 0.83 ALDH1A1 (0.71) ALDH1A1CDC25BHPGDHSD17B10CYP3A4

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