SCHEMBL5507263

SCHEMBL5507263

O=S(=O)(CCC#Cc1cccnc1)N1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TP53 P04637 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
POLB P06746 2/20 0.41
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 1/20 0.41
USP2 O75604 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
SCHEMBL5507261 0.82 LMNA (0.43) LMNANPSR1CA12CA1CA2
SCHEMBL9044624 0.81 DRD4 (0.52) CHRNB2CHRNA4
SCHEMBL16493549 0.78 MAPT (0.47) LMNATP53POLBMAPTALDH1A1
SCHEMBL2157226 0.78 CYP3A4 (0.44) LMNANPSR1TP53ALDH1A1USP2
SCHEMBL2155444 0.77 LMNA (0.51) LMNANPSR1CA12CA1CA2
SCHEMBL2155435 0.77 LMNA (0.51) LMNANPSR1CA12CA1CA2
SCHEMBL2155931 0.77 LMNA (0.51) LMNANPSR1CA12CA1CA2
SCHEMBL16493579 0.77 LMNA (0.52) LMNATP53POLBALDH1A1
SCHEMBL4958223 0.76 MMP13 (0.49) LMNATP53POLBALDH1A1
SCHEMBL2156824 0.76 TP53 (0.44) LMNANPSR1TP53POLBMAPT

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 3 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 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