SCHEMBL8328109

SCHEMBL8328109

O=C(Nc1ccc(S(=O)(=O)N2C(C(=O)NO)C[C@H]3CCC[C@H]32)cc1)c1cccs1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.59
KMT2A Q03164 8/20 0.59
MAPT P10636 8/20 0.56
LMNA P02545 4/20 0.56
USP2 O75604 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HTT P42858 2/20 0.56
HSD17B10 Q99714 1/20 0.56
MAPK1 P28482 1/20 0.54
ALDH1A1 P00352 6/20 0.53
TSHR P16473 1/20 0.53
HPGD P15428 2/20 0.51
ALOX12 P18054 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TDP1 Q9NUW8 2/20 0.45
MMP2 P08253 2/20 0.45
MMP9 P14780 2/20 0.45
PKM P14618 1/20 0.44

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
SCHEMBL8320621 0.82 POLB (0.60) MEN1KMT2ALMNAUSP2SMN1; SMN2
SCHEMBL8327337 0.81 TSHR (0.58) MEN1KMT2AMAPTLMNAUSP2
SCHEMBL13218242 0.80 MEN1 (0.37) MEN1KMT2AMAPTLMNAUSP2
SCHEMBL13201342 0.80 MMP2 (0.52) MEN1KMT2AMAPTLMNAHTT
SCHEMBL8319376 0.80 EPHX2 (0.48) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL8324756 0.79 MMP2 (0.46) ALDH1A1MMP2MMP9MMP12GAA
SCHEMBL13201315 0.78 MMP2 (0.46) TSHRMMP2MMP9MMP12
SCHEMBL8328602 0.78 MEN1 (0.56) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL8320651 0.78 MMP9 (0.62) MMP2MMP9MMP12
SCHEMBL8319573 0.77 MMP2 (0.44) KMT2ALMNAALDH1A1MMP2MMP9

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
US-7772270-B2 Imino acid derivatives as inhibitors of matrix metalloproteinases SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-08-10 US disclosed