SCHEMBL11890100

SCHEMBL11890100

c1ccc(-c2c(-c3ccccc3)c(-c3ccccc3-c3cccc4c3[nH]c3ccccc34)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2-c2cccc3c2[nH]c2ccccc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 12/20 0.50
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
HTR2B P41595 1/20 0.49
HTR5A P47898 1/20 0.49
TDO2 P48775 1/20 0.49
KIF11 P52732 4/20 0.49
EGFR P00533 1/20 0.46
SMARCA2 P51531 1/20 0.45
SMARCA4 P51532 1/20 0.45
PBRM1 Q86U86 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
SCHEMBL29268734 1.00 PARP14 (0.50) PARP14ESR1ESR2HTR2BHTR5A
SCHEMBL29832330 0.89 PARP14 (0.52) PARP14HTR2BHTR5ATDO2KIF11
SCHEMBL30021807 0.89 PARP14 (0.52) PARP14HTR2BHTR5ATDO2KIF11
SCHEMBL29268781 0.89 PARP14 (0.52) PARP14HTR2BHTR5ATDO2KIF11
SCHEMBL192834 0.89 PARP14 (0.52) PARP14HTR2BHTR5ATDO2KIF11
SCHEMBL190688 0.89 PARP14 (0.52) PARP14HTR2BHTR5ATDO2KIF11
SCHEMBL31275984 0.89 PARP14 (0.52) PARP14HTR2BHTR5ATDO2KIF11
SCHEMBL30567675 0.89 PARP14 (0.47) PARP14ESR1ESR2HTR2BHTR5A
SCHEMBL192833 0.88 PARP14 (0.49) PARP14ESR1ESR2HTR2BHTR5A
SCHEMBL29268767 0.87 KIF11 (0.53) PARP14KIF11

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-2481264-A1 LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, LIGHTING DEVICE, AND ELECTRONIC DEVICE Semiconductor Energy Laboratory Co, Ltd. (JP) 2012-08-01 EP disclosed