SCHEMBL5507261

SCHEMBL5507261

O=S(=O)(C[CH]C#Cc1cccnc1)N1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CYP17A1 P05093 2/20 0.41
CYP21A2 P08686 2/20 0.41
CYP11B1 P15538 2/20 0.41
CYP3A4 P08684 3/20 0.41
MMP13 P45452 2/20 0.41
MMP14 P50281 2/20 0.41
ADAMTS4 O75173 2/20 0.41
CYP19A1 P11511 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL27713626 0.87 LMNA (0.50) LMNACYP3A4MMP13MMP14ADAMTS4
SCHEMBL2155435 0.82 LMNA (0.51) LMNANPSR1CA12CA1CA2
SCHEMBL5507263 0.82 LMNA (0.43) LMNANPSR1CA12CA1CA2
SCHEMBL2155444 0.82 LMNA (0.51) LMNANPSR1CA12CA1CA2
SCHEMBL2155931 0.82 LMNA (0.51) LMNANPSR1CA12CA1CA2
SCHEMBL2157226 0.79 CYP3A4 (0.44) LMNANPSR1CYP3A4MMP13MMP14
SCHEMBL16493548 0.79 ALDH1A1 (0.46) LMNACYP3A4MMP13MMP14ADAMTS4
SCHEMBL4958220 0.77 ADAMTS4 (0.48) LMNACYP17A1CYP21A2CYP11B1CYP3A4
SCHEMBL2156817 0.77 MMP13 (0.57) LMNANPSR1CYP3A4MMP13MMP14
SCHEMBL16493578 0.76 LMNA (0.48) LMNACYP3A4MMP13MMP14ADAMTS4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828160-B1 SULFONYL AMINO CYCLIC DERIVATIVES AND USE THEREOF AS MMP INHIBITORS MERCK SERONO SA (CH) 2011-12-14 EP claimed
CN-101124213-A Sulfonylamino cyclic derivatives and uses thereof SERONO LAB (CH) 2008-02-13 CN claimed
EP-1828160-B1 SULFONYL AMINO CYCLIC DERIVATIVES AND USE THEREOF AS MMP INHIBITORS MERCK SERONO SA (CH) 2011-12-14 EP disclosed
CN-101124213-A Sulfonylamino cyclic derivatives and uses thereof SERONO LAB (CH) 2008-02-13 CN disclosed
EP-1828160-A1 SULFONYL AMINO CYCLIC DERIVATIVES AND USE THEREOF AS MMP INHIBITORS LABORATOIRES SERONO S.A. (CH) 2007-09-05 EP disclosed
WO-2006067114-A1 SULFONYL AMINO CYCLIC DERIVATIVES AND USE THEREOF LABORATOIRES SERONO S.A. (CH) 2006-06-29 WO disclosed