SCHEMBL29149097

SCHEMBL29149097

COc1cc(-c2cc(=O)c3cc(C#N)ccc3o2)cc(OC)c1C(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A2 P19784 8/20 0.52
▸ CSNK2B P67870 8/20 0.52
▸ CSNK2A1 P68400 8/20 0.52
▸ FYN P06241 1/20 0.49
▸ ESR2 Q92731 1/20 0.48
▸ LCK P06239 1/20 0.48
▸ TNKS O95271 1/20 0.48
▸ KDM4E B2RXH2 4/20 0.46
▸ CYP3A4 P08684 4/20 0.46
▸ HPGD P15428 4/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ MAPT P10636 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ ABCB1 P08183 3/20 0.46
▸ THRB P10828 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ GLA P06280 1/20 0.46

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
SCHEMBL29149150 0.84 TNKS (0.50) CSNK2A2CSNK2BCSNK2A1ESR2TNKS
SCHEMBL30626959 0.81 LCK (0.72) CSNK2A2CSNK2BCSNK2A1LCKTNKS
SCHEMBL29149144 0.74 LCK (0.65) CSNK2A2CSNK2BCSNK2A1LCKTNKS
SCHEMBL312312 0.73 MAPT (0.71) CSNK2A2CSNK2BCSNK2A1FYNLCK
SCHEMBL11564846 0.73 AR (0.53) TNKSKDM4ECYP3A4HPGDALDH1A1
SCHEMBL5477181 0.72 PDE5A (0.38) RAB9ANPC1
SCHEMBL31238531 0.72 MAPT (0.72) CSNK2A2CSNK2BCSNK2A1TNKSKDM4E
SCHEMBL29149084 0.71 MAPT (0.67) CSNK2A2CSNK2BCSNK2A1TNKSKDM4E
SCHEMBL30626952 0.70 GABRP (0.61) CSNK2A2CSNK2BCSNK2A1FYNESR2
SCHEMBL24046933 0.69 ABCB1 (0.76) KDM4ECYP3A4HPGDALDH1A1HSD17B10

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-117447402-A Aromatic hydrocarbon receptor modulator compound, and preparation method and application thereof 德明药泰生物技术(深圳)有限公司 2024-01-26 — — CN disclosed
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