SCHEMBL31357853

SCHEMBL31357853

Nc1ccc(F)c(C#CC2CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 1/20 0.41
▸ BACE1 P56817 4/20 0.40
▸ CTSD P07339 3/20 0.40
▸ BACE2 Q9Y5Z0 3/20 0.40
▸ REN P00797 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ IKBKB O14920 1/20 0.31
▸ PGK1 P00558 1/20 0.30

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
SCHEMBL287497 0.86 PTPN11 (0.41) PTPN11BACE1CTSDBACE2REN
SCHEMBL30966827 0.79 CYP3A4 (0.42) PTPN11CYP3A4IKBKBPGK1
SCHEMBL20079214 0.79 BACE1 (0.38) PTPN11BACE1CTSDBACE2REN
SCHEMBL31125232 0.78 GAA (0.42) PTPN11
SCHEMBL31125223 0.77 KDM4E (0.46) PTPN11CYP3A4IKBKBPGK1
SCHEMBL31125221 0.75 CYP3A4 (0.42) PTPN11CYP3A4IKBKBPGK1
SCHEMBL13646423 0.75 KDM4E (0.37) BACE1CYP3A4
SCHEMBL5492681 0.75 GLA (0.46) PTPN11
SCHEMBL18233545 0.75 REN (0.38) PTPN11BACE1CTSDBACE2REN
SCHEMBL31125215 0.74 BACE1 (0.43) PTPN11BACE1CTSDBACE2REN

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-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
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