SCHEMBL25834657

SCHEMBL25834657

O=c1[nH]c2cc(Nc3ccccc3Cl)ccc2c2ccc(Nc3ccccc3Cl)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 5/20 0.52
▸ MAPK10 P53779 5/20 0.52
▸ MAPK14 Q16539 5/20 0.52
▸ APAF1 O14727 1/20 0.51
▸ TDP2 O95551 1/20 0.51
▸ CDC25B P30305 1/20 0.51
▸ CASP3 P42574 1/20 0.51
▸ CASP7 P55210 1/20 0.51
▸ CASP9 P55211 1/20 0.51
▸ CASP6 P55212 1/20 0.51
▸ CASP8 Q14790 1/20 0.51
▸ SENP8 Q96LD8 1/20 0.51
▸ SENP7 Q9BQF6 1/20 0.51
▸ SENP6 Q9GZR1 1/20 0.51
▸ PARP1 P09874 5/20 0.49
▸ BRD4 O60885 2/20 0.46
▸ AURKA O14965 1/20 0.45
▸ AURKB Q96GD4 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 1/20 0.42

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
SCHEMBL25834660 0.94 MAPK8 (0.52) MAPK8MAPK10MAPK14APAF1TDP2
SCHEMBL25834665 0.86 BRD4 (0.55) MAPK8MAPK10MAPK14APAF1TDP2
SCHEMBL18253544 0.82 MAPK8 (0.57) MAPK8MAPK10MAPK14APAF1TDP2
SCHEMBL25835159 0.81 ERCC1 (0.57) MAPK10MAPK14APAF1TDP2CDC25B
SCHEMBL25834655 0.79 APAF1 (0.50) MAPK8MAPK10MAPK14APAF1TDP2
SCHEMBL21168871 0.79 MAPK8 (0.56) MAPK8MAPK10MAPK14APAF1TDP2
SCHEMBL25835280 0.77 ERCC1 (0.50) MAPK10MAPK14PARP1BRD4ALDH1A1
SCHEMBL20031187 0.76 KIF11 (0.53) MAPK8MAPK10MAPK14APAF1TDP2
SCHEMBL16925710 0.72 C1R (0.48) MAPK8MAPK10MAPK14APAF1TDP2
SCHEMBL21577615 0.72 MAPK14 (0.49) MAPK8MAPK10MAPK14APAF1TDP2

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-2023110742-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-06-22 — — WO disclosed
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