SCHEMBL28913532

SCHEMBL28913532

N#COc1ccc(C(c2ccc(OC#N)cc2)C(Cl)Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.46
▸ MAPK1 P28482 3/20 0.46
▸ TDP1 Q9NUW8 3/20 0.46
▸ HIF1A Q16665 3/20 0.46
▸ ATM Q13315 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ PBRM1 Q86U86 1/20 0.34
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ NR1I2 O75469 1/20 0.32
▸ ABCB11 O95342 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ NR3C1 P04150 1/20 0.32
▸ PGR P06401 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ ADRA2A P08913 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CNR1 P21554 1/20 0.32

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
SCHEMBL17042294 0.87 PBRM1 (0.38) PBRM1ALDH1A1GAA
SCHEMBL15224589 0.79 PBRM1 (0.38) PBRM1ALDH1A1GAA
SCHEMBL3225154 0.78 SLC2A1 (0.38) PBRM1ALDH1A1GAA
SCHEMBL24787 0.76 CA1 (0.32) TSHRKDM4ECYP3A4MAPTBLM
SCHEMBL15224820 0.76 PBRM1 (0.36) PBRM1ALDH1A1GAA
SCHEMBL139926 0.74 ESR1 (0.41) PBRM1LMNAALDH1A1GAA
SCHEMBL27657818 0.74 MEN1 (0.38) MAPTALDH1A1GAA
SCHEMBL21027532 0.74 ALDH1A1 (0.32) ALDH1A1GAA
SCHEMBL29913553 0.74 ESR1 (0.39) PBRM1LMNAALDH1A1GAA
SCHEMBL8985414 0.74 ALDH1A1 (0.32) CYP2C19ALDH1A1GAA

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-109982993-B Asymmetrically substituted dienyl diphenyl ethers, their preparation and use 赢创运营有限公司 2022-06-07 — — CN disclosed
CN-108349861-B Alkenylphenoxy-substituted 1, 1-diphenylethylenes, process for their preparation and their use 赢创运营有限公司 2021-07-20 — — CN disclosed
CN-108137458-B [ (2-ethoxy-5-trans-1-propen-1-yl) -phenoxy ] -end-capping compounds 赢创运营有限公司 2021-01-05 — — CN disclosed
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