SCHEMBL30966827

SCHEMBL30966827

Nc1ccc(Cl)c(C#CC2CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.42
▸ TSHR P16473 2/20 0.42
▸ PTPN11 Q06124 1/20 0.41
▸ PGK1 P00558 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.36
▸ HTT P42858 1/20 0.36
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 4/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ HPGD P15428 2/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31

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
SCHEMBL31125221 0.86 CYP3A4 (0.42) CYP3A4TSHRPTPN11PGK1ALDH1A1
SCHEMBL31357853 0.79 PTPN11 (0.41) CYP3A4PTPN11PGK1IKBKB
SCHEMBL31125223 0.77 KDM4E (0.46) CYP3A4PTPN11PGK1ALDH1A1MAPT
SCHEMBL287497 0.75 PTPN11 (0.41) CYP3A4PTPN11PGK1ALDH1A1MAPT
SCHEMBL38658837 0.75 CYP3A4 (0.50) CYP3A4TSHRALDH1A1HTTCA1
SCHEMBL31125232 0.75 GAA (0.42) TSHRPTPN11ALDH1A1POLBHPGD
SCHEMBL29490274 0.73 KCNH2 (0.43) CYP3A4TSHRPTPN11PGK1LMNA
SCHEMBL21246857 0.73 KCNH2 (0.43) CYP3A4TSHRPTPN11PGK1LMNA
SCHEMBL30966829 0.72 PTPN11 (0.43) CYP3A4PTPN11PGK1
SCHEMBL29236439 0.72 MEN1 (0.40) PTPN11PGK1MEN1KMT2AIKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118852145-A GSPT1 degradation agent and application thereof 南京圣和药业股份有限公司 2024-10-29 — — CN disclosed
CN-118184639-A GSPT1 degradation agent and application thereof 南京圣和药业股份有限公司 2024-06-14 — — CN disclosed
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