SCHEMBL25033222

SCHEMBL25033222

C#CCN(C(=O)OC(C)(C)C)c1ccc(S(C)(=O)=O)cc1P(C)(C)=O

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.31
▸ ADRA2A P08913 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ HTR2B P41595 1/20 0.31
▸ STAT6 P42226 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ F2 P00734 2/20 0.31
▸ KCNQ4 P56696 1/20 0.31
▸ KCNQ5 Q9NR82 1/20 0.31
▸ GPR119 Q8TDV5 5/20 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
SCHEMBL30832674 1.00 LMNA (0.31) LMNAADRA2ACYP2D6CYP2C9DRD2
SCHEMBL20927651 0.85 F2 (0.34) F2KCNQ4KCNQ5GPR119
SCHEMBL29811656 0.84 PDK1 (0.37) LMNAGPR119
SCHEMBL23144580 0.84 PDK1 (0.37) LMNAGPR119
SCHEMBL29811519 0.83 SMN1; SMN2 (0.40) LMNAADRA2ACYP2D6CYP2C9DRD2
SCHEMBL23144640 0.83 SMN1; SMN2 (0.40) LMNAADRA2ACYP2D6CYP2C9DRD2
SCHEMBL25033220 0.83 GPR119 (0.33) LMNAGPR119
SCHEMBL31270355 0.83 GPR119 (0.33) LMNAGPR119
SCHEMBL23144395 0.83 HRH4 (0.38) LMNAKCNQ4KCNQ5GPR119
SCHEMBL29812119 0.83 HRH4 (0.38) LMNAKCNQ4KCNQ5GPR119

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
WO-2023016434-A1 COMPOUNDS TARGETING MUTANT OF P53 JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2023-02-16 — — WO disclosed
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