SCHEMBL30826547

SCHEMBL30826547

Clc1ccc(-c2ccc(-c3ccccc3-c3cccc4c3[nH]c3ccccc34)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 2/20 0.56
▸ IDO1 P14902 2/20 0.56
▸ PARP14 Q460N5 11/20 0.53
▸ CDK4 P11802 1/20 0.48
▸ CCND1 P24385 1/20 0.48
▸ KIF11 P52732 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.45
▸ CCNB2 O95067 1/20 0.45
▸ CDK1 P06493 1/20 0.45
▸ CCNB1 P14635 1/20 0.45
▸ CCNB3 Q8WWL7 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ PDE10A Q9Y233 1/20 0.45
▸ S1PR4 O95977 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ GLA P06280 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ S1PR1 P21453 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
SCHEMBL30819077 1.00 TDO2 (0.56) TDO2IDO1PARP14CDK4CCND1
SCHEMBL19061341 0.93 TDO2 (0.59) TDO2IDO1PARP14CDK4CCND1
SCHEMBL30059288 0.88 KIF11 (0.53) TDO2PARP14CDK4CCND1KIF11
SCHEMBL866841 0.88 KIF11 (0.53) TDO2PARP14CDK4CCND1KIF11
SCHEMBL31275984 0.86 PARP14 (0.52) TDO2PARP14CDK4CCND1KIF11
SCHEMBL29832330 0.86 PARP14 (0.52) TDO2PARP14CDK4CCND1KIF11
SCHEMBL30021807 0.86 PARP14 (0.52) TDO2PARP14CDK4CCND1KIF11
SCHEMBL29268781 0.86 PARP14 (0.52) TDO2PARP14CDK4CCND1KIF11
SCHEMBL190688 0.86 PARP14 (0.52) TDO2PARP14CDK4CCND1KIF11
SCHEMBL192834 0.86 PARP14 (0.52) TDO2PARP14CDK4CCND1KIF11

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-113474331-B Compound and organic light emitting device using the same 株式会社LG化学 2024-03-15 — — CN disclosed
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