SCHEMBL6967936

SCHEMBL6967936

O=C(NO)OC1(CS(=O)(=O)N2CCN(c3ccc(-c4cccs4)cc3)CC2)CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 10/20 0.40
MMP9 P14780 9/20 0.40
MMP3 P08254 3/20 0.40
MMP1 P03956 2/20 0.40
ADAM10 O14672 1/20 0.40
ADAMTS4 O75173 1/20 0.40
MMP13 P45452 10/20 0.39
ADAM17 P78536 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MMP14 P50281 3/20 0.38
MAPT P10636 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
THRB P10828 1/20 0.37
TACR3 P29371 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL6787148 0.84 MMP2 (0.51) MMP2MMP9MMP3MMP1ADAM10
SCHEMBL6968740 0.83 MMP2 (0.41) MMP2MMP9MMP3MMP1ADAM10
SCHEMBL6977692 0.81 MMP2 (0.40) MMP2MMP9MMP3MMP1ADAM10
SCHEMBL6974852 0.74 ADAMTS4 (0.43) MMP2MMP9MMP3MMP1ADAM10
SCHEMBL28580846 0.67 NPC1 (0.69) SMN1; SMN2MAPTNPC1RAB9APOLB
SCHEMBL6785924 0.67 MMP2 (0.52) MMP2MMP9MMP3MMP1ADAM10
SCHEMBL6782627 0.67 MMP2 (0.56) MMP2MMP9MMP3MMP1ADAM10
SCHEMBL6950104 0.66 MMP13 (0.47) MMP2MMP1ADAM10MMP13MMP14
SCHEMBL4816291 0.66 ADAMTS4 (0.60) MMP2MMP9MMP3MMP1ADAM10
SCHEMBL12152323 0.66 MMP2 (0.61) MMP2MMP9MMP3MMP1ADAM10

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-1282614-B1 HYDROXAMIC ACID DERIVATIVES DARWIN DISCOVERY LTD (GB) 2003-11-12 EP claimed