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SCHEMBL22562558

SCHEMBL22562558

Cc1ccc(-c2ccc3c4ccc(-c5ccc(C#N)cc5)cc4n(-c4cc(C#N)cc(-n5c6cc(-c7ccc(C#N)cc7)ccc6c6ccc(-c7ccc(C#N)cc7)cc65)c4-c4cccc(C)n4)c3c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.37
▸ CHEK1 O14757 1/20 0.37
▸ MAPKAPK2 P49137 1/20 0.35
▸ TGFBR1 P36897 7/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP2A6 P11509 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ GRM2 Q14416 1/20 0.33

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
SCHEMBL22562559 0.90 TGFBR1 (0.36) TGFBR1IRAK4
SCHEMBL22562278 0.90 ALDH1A3 (0.41) HSD11B1CHEK1MAPKAPK2ALDH1A1
SCHEMBL22562526 0.85 TGFBR1 (0.35) TGFBR1IRAK4
SCHEMBL22562563 0.85 TGFBR1 (0.41) TGFBR1IRAK4
SCHEMBL23487587 0.83 CHEK1 (0.38) HSD11B1CHEK1MAPKAPK2IRAK4ALDH1A1
SCHEMBL19913283 0.83 CHEK1 (0.37) HSD11B1CHEK1MAPKAPK2IRAK4ALDH1A1
SCHEMBL19909127 0.83 CHEK1 (0.41) HSD11B1CHEK1MAPKAPK2IRAK4
SCHEMBL19943041 0.82 CHEK1 (0.39) HSD11B1CHEK1MAPKAPK2ALDH1A1CYP2A6
SCHEMBL22562435 0.82 TGFBR1 (0.37) TGFBR1IRAK4
SCHEMBL21278797 0.81 CHEK1 (0.39) HSD11B1CHEK1IRAK4

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
EP-3418278-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-10-21 — — EP disclosed