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Sugi Predict / Compounds / SCHEMBL26569442

SCHEMBL26569442

SCHEMBL26569442

c1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4cccc5sc6ccccc6c45)cc3)c3ccccc3-c3cccc4cccc(-c5ccccc5)c34)cc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ F9 P00740 1/20 0.32
▸ SLC9A1 P19634 1/20 0.31
▸ BRDT Q58F21 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
SCHEMBL26569562 0.99 LIMK1 (0.33) LIMK1ALDH1A1TSHRMAPK1ATM
SCHEMBL26585219 0.98 ALDH1A1 (0.33) LIMK1ALDH1A1TSHRMAPK1ATM
SCHEMBL26588558 0.98 ALDH1A1 (0.33) LIMK1ALDH1A1TSHRMAPK1ATM
SCHEMBL26568547 0.96 LIMK1 (0.33) LIMK1ALDH1A1TSHRMAPK1ATM
SCHEMBL26569724 0.96 LIMK1 (0.33) LIMK1ALDH1A1TSHRMAPK1ATM
SCHEMBL26584596 0.95 LIMK1 (0.32) LIMK1ALDH1A1TSHRMAPK1ATM
SCHEMBL26585227 0.95 ALDH1A1 (0.33) LIMK1ALDH1A1TSHRMAPK1ATM
SCHEMBL26588556 0.94 F9 (0.33) LIMK1ALDH1A1TSHRMAPK1ATM
SCHEMBL26588518 0.94 F9 (0.33) LIMK1ALDH1A1TSHRMAPK1ATM
SCHEMBL26569841 0.94 LIMK1 (0.33) LIMK1ALDH1A1TSHRMAPK1ATM

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