SCHEMBL26569458

SCHEMBL26569458

c1ccc(-c2ccccc2N(c2cccc(-c3cccc4sc5ccccc5c34)c2)c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)cc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 1/20 0.34
F9 P00740 1/20 0.33
SLC9A1 P19634 1/20 0.33
BRDT Q58F21 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.32
MAPK1 P28482 2/20 0.32
HSD17B10 Q99714 2/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HIF1A Q16665 1/20 0.32
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALOX5 P09917 1/20 0.31

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
SCHEMBL26585121 0.99 LIMK1 (0.34) LIMK1F9SLC9A1BRDTALDH1A1
SCHEMBL26588368 0.99 LIMK1 (0.34) LIMK1F9SLC9A1BRDTALDH1A1
SCHEMBL26569354 0.98 LIMK1 (0.33) LIMK1F9SLC9A1BRDTALDH1A1
SCHEMBL26584598 0.97 LIMK1 (0.33) LIMK1F9SLC9A1BRDTALDH1A1
SCHEMBL26588359 0.96 F9 (0.34) LIMK1F9SLC9A1BRDTALDH1A1
SCHEMBL26588512 0.96 F9 (0.37) LIMK1F9SLC9A1BRDTALDH1A1
SCHEMBL26569830 0.95 LIMK1 (0.34) LIMK1F9SLC9A1BRDTALDH1A1
SCHEMBL26585118 0.93 LIMK1 (0.33) LIMK1F9SLC9A1BRDTALDH1A1
SCHEMBL23233542 0.93 F9 (0.38) LIMK1F9SLC9A1BRDTALDH1A1
SCHEMBL26569833 0.93 ALDH1A1 (0.34) LIMK1F9SLC9A1BRDTALDH1A1

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-2023182323-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2023-09-28 WO disclosed