SCHEMBL31706274

SCHEMBL31706274

COC(=O)c1cc(OS(=O)(=O)C(F)(F)F)cc(C2=CCCN(C(=O)OC(C)(C)C)C2)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 2/20 0.38
▸ WDR5 P61964 2/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ STS P08842 3/20 0.34
▸ RORC P51449 1/20 0.34
▸ EPHX2 P34913 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ MMP13 P45452 4/20 0.33
▸ MMP1 P03956 3/20 0.33
▸ MMP3 P08254 3/20 0.33
▸ MMP7 P09237 3/20 0.33
▸ MMP9 P14780 3/20 0.33
▸ MMP8 P22894 3/20 0.33
▸ USP30 Q70CQ3 3/20 0.33
▸ MMP2 P08253 2/20 0.33
▸ UCHL1 P09936 1/20 0.33
▸ GPR119 Q8TDV5 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
SCHEMBL31704900 0.93 NR1H2 (0.34) NR1H2WDR5ESR2STSRORC
SCHEMBL31705120 0.85 NAMPT (0.44) GPR119
SCHEMBL31704979 0.82 ESR2 (0.45) NR1H2WDR5ESR2PKMUSP30
SCHEMBL31706443 0.82 ESR2 (0.45) NR1H2WDR5ESR2PKMUSP30
SCHEMBL31704801 0.82 NR1H2 (0.43) NR1H2WDR5ESR2PKMUSP30
SCHEMBL31706330 0.79 CDK7 (0.41) GPR119
SCHEMBL31704684 0.79 NR1H2 (0.40) NR1H2WDR5ESR2RORCPKM
SCHEMBL31705023 0.79 NR1H2 (0.40) NR1H2WDR5ESR2RORCPKM
SCHEMBL31649256 0.77 NR1H2 (0.49) NR1H2ESR2PKMUSP30GPR119
SCHEMBL15649776 0.77 ALDH1A1 (0.43) NR1H2ESR2STSEPHX2GPR119

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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