SCHEMBL29199252

SCHEMBL29199252

Clc1c(-c2ccccc2)cccc1-c1cccc2c1[nH]c1ccccc12

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 14/20 0.48
TDO2 P48775 2/20 0.46
HTR2B P41595 1/20 0.46
HTR5A P47898 1/20 0.46
KIF11 P52732 1/20 0.46
CDK4 P11802 2/20 0.44
CCND1 P24385 2/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL31275984 0.86 PARP14 (0.52) PARP14TDO2HTR2BHTR5AKIF11
SCHEMBL192834 0.86 PARP14 (0.52) PARP14TDO2HTR2BHTR5AKIF11
SCHEMBL29268781 0.86 PARP14 (0.52) PARP14TDO2HTR2BHTR5AKIF11
SCHEMBL190688 0.86 PARP14 (0.52) PARP14TDO2HTR2BHTR5AKIF11
SCHEMBL30021807 0.86 PARP14 (0.52) PARP14TDO2HTR2BHTR5AKIF11
SCHEMBL29832330 0.86 PARP14 (0.52) PARP14TDO2HTR2BHTR5AKIF11
SCHEMBL191031 0.86 CDK4 (0.55) PARP14TDO2HTR2BHTR5AKIF11
SCHEMBL29412285 0.86 CDK4 (0.55) PARP14TDO2HTR2BHTR5AKIF11
SCHEMBL30985273 0.84 CDK4 (0.54) PARP14TDO2HTR2BHTR5AKIF11
SCHEMBL31235721 0.84 CDK4 (0.54) PARP14TDO2HTR2BHTR5AKIF11

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
CN-113474330-B Compound and organic light emitting device using the same 株式会社LG化学 2024-03-15 CN disclosed