SCHEMBL31706237

SCHEMBL31706237

COC(=O)c1cc(O)cc(C2=CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.50
▸ PDK4 Q16654 1/20 0.46
▸ GRM1 Q13255 9/20 0.45
▸ GRM5 P41594 8/20 0.45
▸ ESR2 Q92731 1/20 0.45
▸ JAK1 P23458 1/20 0.44
▸ CYP11B2 P19099 1/20 0.44
▸ CDK7 P50613 1/20 0.43
▸ CDK13 Q14004 1/20 0.43
▸ CDK12 Q9NYV4 1/20 0.43
▸ SCN9A Q15858 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ HTR6 P50406 1/20 0.41
▸ QDPR P09417 1/20 0.40
▸ GPR119 Q8TDV5 1/20 0.40

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
SCHEMBL31706901 1.00 NAMPT (0.50) NAMPTPDK4GRM1GRM5ESR2
SCHEMBL31704569 0.85 CDK7 (0.49) NAMPTPDK4GRM1GRM5JAK1
SCHEMBL2951348 0.85 NAMPT (0.60) NAMPTPDK4GRM1GRM5JAK1
SCHEMBL22324970 0.84 NAMPT (0.55) NAMPTPDK4GRM1GRM5JAK1
SCHEMBL31706789 0.84 NAMPT (0.55) NAMPTPDK4GRM1GRM5JAK1
SCHEMBL31705879 0.83 CYP11B2 (0.56) NAMPTPDK4GRM1GRM5JAK1
SCHEMBL24310781 0.83 GRM1 (0.52) NAMPTPDK4GRM1GRM5ESR2
SCHEMBL29567698 0.83 GRM1 (0.52) NAMPTPDK4GRM1GRM5ESR2
SCHEMBL31706443 0.82 ESR2 (0.45) NAMPTESR2CA12CA1CA2
SCHEMBL31704979 0.82 ESR2 (0.45) NAMPTESR2CA12CA1CA2

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-2025215110-A1 NEW AMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS SOS1 INHIBITORS LES LABORATOIRES SERVIER (FR) 2025-10-16 — — WO disclosed
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