SCHEMBL3116170

SCHEMBL3116170

O=[N+]([O-])c1ccc2c(c1)sc1cc(S(=O)(=O)Cl)ccc12.O=[N+]([O-])c1ccc2c3ccc(S(=O)(=O)[O-])cc3[s+](C(F)(F)F)c2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.34
HPGD P15428 5/20 0.34
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
USP2 O75604 1/20 0.34
PHOSPHO1 Q8TCT1 2/20 0.32
HK1 P19367 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
PKM P14618 1/20 0.32
KAT2B Q92831 1/20 0.32
CA2 P00918 1/20 0.32
CA5A P35218 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HSD11B1 P28845 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL3116165 0.91 HPGD (0.36) MAPTHPGDALDH1A1SMN1; SMN2USP2
SCHEMBL3075736 0.86 CA2 (0.37) MAPTALDH1A1MEN1KMT2APKM
SCHEMBL3085696 0.81 HPGD (0.46) MAPTHPGDALDH1A1SMN1; SMN2USP2
Trifluoromethanesulfonic Acid SCHEMBL5094785 0.76 GRIA1 (0.39) MAPTALDH1A1MEN1KMT2APKM
SCHEMBL13144458 0.75 ALDH1A1 (0.42) MAPTHPGDALDH1A1MEN1KMT2A
SCHEMBL3065870 0.75 HPGD (0.43) MAPTHPGDALDH1A1SMN1; SMN2USP2
SCHEMBL4012568 0.75 MAPT (0.41) MAPTHPGDALDH1A1SMN1; SMN2USP2
SCHEMBL6993736 0.73 MEN1 (0.41) MAPTALDH1A1MEN1KMT2APKM
Trifluoromethanesulfonic Acid SCHEMBL9420028 0.72 KIF11 (0.38) MAPTHPGDALDH1A1MEN1KMT2A
SCHEMBL10432083 0.71 KIF11 (0.43) MAPTHPGDALDH1A1MEN1KMT2A

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
EP-2144893-A2 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2010-01-20 EP disclosed
WO-2008137816-A2 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS WYETH (US) 2008-11-13 WO disclosed