SCHEMBL6645919

SCHEMBL6645919

C[Si](C)(C)C#Cc1ccc(N2CCN(S(=O)(=O)/C=C\CCCc3ncccn3)CC2)nc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MMP7 P09237 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ USP2 O75604 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.34
▸ ADK P55263 2/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ GPR119 Q8TDV5 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PARP1 P09874 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ MTOR P42345 1/20 0.31

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
SCHEMBL5916508 0.87 CYP3A4 (0.40) MMP7CYP3A4MMP13USP2KDM4E
SCHEMBL5916509 0.87 CYP3A4 (0.40) MMP7CYP3A4MMP13USP2KDM4E
SCHEMBL5916458 0.87 MMP7 (0.42) MMP7CYP3A4MMP13USP2KDM4E
SCHEMBL5916456 0.87 MMP7 (0.42) MMP7CYP3A4MMP13USP2KDM4E
SCHEMBL5916453 0.87 MMP7 (0.42) MMP7CYP3A4MMP13USP2KDM4E
SCHEMBL6647638 0.84 MMP7 (0.38) MMP7CYP3A4MMP13USP2KDM4E
SCHEMBL5916423 0.82 MMP7 (0.44) MMP7CYP3A4MMP13USP2KDM4E
SCHEMBL6650377 0.82 MMP7 (0.57) MMP7CYP3A4MMP13USP2KDM4E
SCHEMBL5916421 0.82 MMP7 (0.44) MMP7CYP3A4MMP13USP2KDM4E
SCHEMBL5916424 0.82 MMP7 (0.44) MMP7CYP3A4MMP13USP2KDM4E

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
EP-1417201-A1 ARYLPIPERAZINES AND ARYLPIPERIDINES AND THEIR USE AS METALLOPROTEINASE INHIBITING AGENTS AstraZeneca AB (SE) 2004-05-12 — — EP disclosed
WO-2003014111-A1 ARYLPIPERAZINES AND ARYLPIPERIDINES AND THEIR USE AS METALLOPROTEINASE INHIBITING AGENTS ASTRAZENECA AB (SE) 2003-02-20 — — WO disclosed
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