SCHEMBL8328602

SCHEMBL8328602

O=C(Nc1ccc(S(=O)(=O)N2C(C(=O)NO)C[C@H]3CCC[C@H]32)cc1)c1ccc(Cl)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
GPR27 Q9NS67 7/20 0.50
AVPR2 P30518 2/20 0.50
GAA P10253 2/20 0.48
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ATM Q13315 1/20 0.46
HSD11B1 P28845 2/20 0.44
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL8324687 0.91 MEN1 (0.57) MEN1KMT2AGPR27AVPR2GAA
SCHEMBL13201330 0.81 MMP8 (0.52) MEN1KMT2A
SCHEMBL8320621 0.80 POLB (0.60) MEN1KMT2AGAAALDH1A1
SCHEMBL13218243 0.80 ALDH1A1 (0.36) MEN1KMT2AGPR27AVPR2ALDH1A1
SCHEMBL8326140 0.79 PSEN1 (0.52) MEN1KMT2A
SCHEMBL8327337 0.78 TSHR (0.58) MEN1KMT2AGAAALDH1A1KDM4E
SCHEMBL8328109 0.78 MEN1 (0.59) MEN1KMT2AGAAALDH1A1KDM4E
SCHEMBL13201315 0.77 MMP2 (0.46)
SCHEMBL13201342 0.76 MMP2 (0.52) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL8319573 0.76 MMP2 (0.44) KMT2AALDH1A1

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
US-7772270-B2 Imino acid derivatives as inhibitors of matrix metalloproteinases SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-08-10 US disclosed
WO-2004060874-A1 IMINO ACID DERIVATIVES FOR USE AS INHIBITORS OF MATRIX METALLOPROTEINASES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-22 WO disclosed