SCHEMBL4032675

SCHEMBL4032675

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

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CHRM1 P11229 1/20 0.42
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CHRM5 P08912 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL4035648 0.92 MMP1 (0.47) CHRM1MMP1MMP3MMP7MMP9
SCHEMBL4034091 0.89 GAA (0.49) GAASMN1; SMN2CHRM1MMP1MMP3
SCHEMBL4032560 0.87 MMP1 (0.43) CHRM1MMP1MMP3MMP7MMP9
SCHEMBL4035075 0.84 CHRM1 (0.40) GAASMN1; SMN2CHRM1MMP1MMP3
SCHEMBL4032671 0.84 GAA (0.54) GAASMN1; SMN2ALDH1A1LMNA
SCHEMBL4040076 0.82 EPHX2 (0.48) GAASMN1; SMN2
SCHEMBL4036852 0.82 MMP1 (0.50) GAASMN1; SMN2MMP1MMP3MMP7
SCHEMBL4042256 0.82 POLB (0.46) GAACHRM1MMP1MMP3MMP7
SCHEMBL4036877 0.81 ALDH1A1 (0.52) GAAALDH1A1CHRM5LMNA
SCHEMBL4032585 0.80 MMP1 (0.49) CHRM1MMP1MMP3MMP7MMP9

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