SCHEMBL31125221

SCHEMBL31125221

Nc1ccc(C#CC2CC2)c(Cl)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 5/20 0.39
▸ HTT P42858 2/20 0.39
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ POLB P06746 1/20 0.36
▸ ALOX15 P16050 2/20 0.34
▸ THRB P10828 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PDE7A Q13946 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL30966827 0.86 CYP3A4 (0.42) CYP3A4TSHRPTPN11PGK1ALDH1A1
SCHEMBL287497 0.79 PTPN11 (0.41) CYP3A4PTPN11PGK1ALDH1A1MAPT
SCHEMBL31125223 0.77 KDM4E (0.46) CYP3A4PTPN11PGK1ALDH1A1HPGD
SCHEMBL31357853 0.75 PTPN11 (0.41) CYP3A4PTPN11PGK1IKBKB
SCHEMBL5492681 0.75 GLA (0.46) TSHRPTPN11POLBMAPTGAA
SCHEMBL21246857 0.73 KCNH2 (0.43) CYP3A4TSHRPTPN11PGK1
SCHEMBL29490274 0.73 KCNH2 (0.43) CYP3A4TSHRPTPN11PGK1
SCHEMBL30966829 0.72 PTPN11 (0.43) CYP3A4PTPN11PGK1
SCHEMBL21722829 0.71 NOS2 (0.41) PGK1
SCHEMBL2811691 0.71 TRPV4 (0.47) PGK1

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-119431327-A GSPT1 degradation agent and application thereof 南京圣和药业股份有限公司 2025-02-14 — — CN disclosed
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
Send feedback