SCHEMBL30103574

SCHEMBL30103574

c1ccc(-c2ccccc2N(c2ccccc2-c2ccccc2)c2ccccc2-c2cccc3c2[nH]c2ccccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 13/20 0.46
HTR2B P41595 1/20 0.44
HTR5A P47898 1/20 0.44
TDO2 P48775 1/20 0.44
KIF11 P52732 3/20 0.44
CDK4 P11802 2/20 0.43
CCND1 P24385 2/20 0.43
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL3847780 0.92 PARP14 (0.50) PARP14KIF11
SCHEMBL30302828 0.90 TDO2 (0.43) PARP14HTR2BHTR5ATDO2KIF11
SCHEMBL30302977 0.90 PARP14 (0.43) PARP14HTR2BHTR5ATDO2KIF11
SCHEMBL28572505 0.89 PARP14 (0.48) PARP14KIF11
SCHEMBL30302968 0.88 PARP14 (0.38) PARP14HTR2BHTR5ATDO2KIF11
SCHEMBL29476082 0.86 PARP14 (0.47) PARP14KIF11
SCHEMBL29268809 0.86 PARP14 (0.47) PARP14KIF11
SCHEMBL30435195 0.86 CDK4 (0.42) PARP14HTR2BHTR5ATDO2KIF11
SCHEMBL190688 0.84 PARP14 (0.52) PARP14HTR2BHTR5ATDO2KIF11
SCHEMBL31275984 0.84 PARP14 (0.52) PARP14HTR2BHTR5ATDO2KIF11

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022270423-A1 MIXED POWDER FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND METHOD FOR MANUFACTURING MIXED POWDER, METHOD FOR MANUFACTURING ORGANIC ELECTROLUMINESCENT ELEMENT USING MIXED POWDER, METHOD FOR SELECTING COMPOUND IN MIXED POWDER, AND COMPOSITION FOR VACUUM DEPOSITION 出光興産株式会社 2022-12-29 WO disclosed
WO-2022270428-A1 MIXED POWDER FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND METHOD FOR MANUFACTURING MIXED POWDER, METHOD FOR MANUFACTURING ORGANIC ELECTROLUMINESCENT ELEMENT USING MIXED POWDER, METHOD FOR SELECTING COMPOUND IN MIXED POWDER, AND COMPOSITION FOR VACUUM DEPOSITION 出光興産株式会社 2022-12-29 WO disclosed