SCHEMBL30022189

SCHEMBL30022189

c1ccc(-c2ccccc2Nc2cccc3c2[nH]c2ccccc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 15/20 0.51
CDC25B P30305 1/20 0.47
HTR2B P41595 1/20 0.46
HTR5A P47898 1/20 0.46
TDO2 P48775 1/20 0.46
KIF11 P52732 1/20 0.46
JAK2 O60674 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
KLK7 P49862 1/20 0.46
FABP3 P05413 1/20 0.45
FABP4 P15090 1/20 0.45
FABP5 Q01469 1/20 0.45

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
SCHEMBL22189181 1.00 PARP14 (0.51) PARP14CDC25BHTR2BHTR5ATDO2
SCHEMBL29787771 0.87 PARP14 (0.49) PARP14
SCHEMBL28795757 0.87 PARP14 (0.49) PARP14
SCHEMBL28494240 0.86 KIF11 (0.48) PARP14CDC25BKIF11
SCHEMBL9490444 0.86 KIF11 (0.59) PARP14TDO2KIF11JAK2TP53
SCHEMBL30302765 0.85 PARP14 (0.47) PARP14CDC25BHTR2BHTR5ATDO2
Biphenyl SCHEMBL29177843 0.85 PARP14 (0.47) PARP14CDC25BHTR2BHTR5ATDO2
SCHEMBL191031 0.83 CDK4 (0.55) PARP14HTR2BHTR5ATDO2KIF11
SCHEMBL29412285 0.83 CDK4 (0.55) PARP14HTR2BHTR5ATDO2KIF11
SCHEMBL22189182 0.83 BCHE (0.55) PARP14KIF11JAK2TP53MAPT

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-2022244864-A1 MIXED POWDER, VAPOR DEPOSITION METHOD FOR ORGANIC COMPOUND, METHOD FOR PRODUCING ORGANIC ELECTROLUMINESCENT ELEMENT, METHOD FOR SELECTING ORGANIC COMPOUND, AND VAPOR DEPOSITION METHOD 出光興産株式会社 2022-11-24 WO disclosed