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Sugi Predict / Compounds / SCHEMBL4034091

SCHEMBL4034091

SCHEMBL4034091

O=C(NC(c1ccccc1)c1ccccc1)C1CN(C(=O)c2ccccn2)CCN1S(=O)(=O)c1ccc2ncccc2c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ CHRM1 P11229 1/20 0.43
▸ MMP1 P03956 1/20 0.40
▸ MMP3 P08254 1/20 0.40
▸ MMP7 P09237 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ CHRM5 P08912 1/20 0.40
▸ LMNA P02545 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
SCHEMBL4032585 0.92 MMP1 (0.49) CHRM1MMP1MMP3MMP7MMP9
SCHEMBL4032675 0.89 GAA (0.48) GAASMN1; SMN2CHRM1MMP1MMP3
SCHEMBL4034484 0.87 MMP1 (0.44) GAACHRM1MMP1MMP3MMP7
SCHEMBL4036727 0.86 CHRM1 (0.48) GAASMN1; SMN2CHRM1MMP1MMP3
SCHEMBL4032608 0.85 MMP1 (0.55) GAASMN1; SMN2CHRM1MMP1MMP3
SCHEMBL4034086 0.83 GAA (0.60) GAASMN1; SMN2LMNA
SCHEMBL4038753 0.83 CHRM1 (0.40) GAACHRM1MMP1MMP3MMP7
SCHEMBL4035407 0.81 MMP1 (0.51) GAASMN1; SMN2MMP1MMP3MMP7
SCHEMBL4035648 0.80 MMP1 (0.47) CHRM1MMP1MMP3MMP7MMP9
SCHEMBL4040076 0.79 EPHX2 (0.48) GAASMN1; SMN2

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
EP-1592389-B1 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES SERONO LAB (CH) 2009-04-22 — — EP claimed