SCHEMBL30464045

SCHEMBL30464045

Cc1ccc2c(c1)C(=C(C#N)C#N)CC2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ USP8 P40818 1/20 0.38
▸ USP7 Q93009 1/20 0.38
▸ ATM Q13315 2/20 0.38
▸ RAD52 P43351 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ELANE P08246 1/20 0.37
▸ METAP1 P53582 2/20 0.36

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
SCHEMBL7048653 1.00 KDM4E (0.41) KDM4EMAPTCA1CA2CA4
SCHEMBL20042468 0.94 KDM4E (0.41) KDM4EMAPTCA1CA2CA4
SCHEMBL7045045 0.86 MAPT (0.39) KDM4EMAPTCA1CA2CA4
SCHEMBL7044981 0.82 EGFR (0.47) KDM4EMAPTCA1CA2CA7
SCHEMBL21795579 0.81 EGFR (0.35) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL23515574 0.81 EGFR (0.39) EGFR
SCHEMBL7043705 0.81 CA1 (0.39) MAPTCA1CA2CA7CA9
SCHEMBL31108093 0.81 S100A4 (0.40) MAPTCA1CA2CA4CA7
SCHEMBL7049277 0.81 S100A4 (0.40) KDM4EUSP8USP7HPGDMETAP1
SCHEMBL7048701 0.81 S100A4 (0.40) MAPTCA1CA2CA4CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109791987-B Organic semiconductor compound 天光材料科技股份有限公司 2023-10-24 — — CN disclosed
CN-109804481-B Organic photodetector 天光材料科技股份有限公司 2023-09-29 — — CN disclosed
CN-109790176-B Organic semiconductor compound 天光材料科技股份有限公司 2023-06-02 — — CN disclosed
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