SCHEMBL14544901

SCHEMBL14544901

O=S(=O)(CI)c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.45
MMP9 P14780 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
MMP1 P03956 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
PKM P14618 1/20 0.44
HSD11B1 P28845 2/20 0.43
PAX8 Q06710 1/20 0.42
MMP14 P50281 1/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 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
SCHEMBL3256270 0.80 PLCG1 (0.58) MMP2MMP9CA1CA2MMP1
Fluoresone SCHEMBL24999 0.78 PSIP1 (0.58) MMP2MMP9CA1CA2MMP1
SCHEMBL9704701 0.78 CA1 (0.46) MMP2MMP9CA1CA2MMP1
SCHEMBL15199478 0.78 MMP2 (0.46) MMP2MMP9CA1CA2MMP1
SCHEMBL14393403 0.76 ENPP2 (0.50) ALDH1A1
SCHEMBL3108160 0.76 PSEN1 (0.46) MMP2MMP9CA1CA2MMP1
SCHEMBL11376482 0.76 GAA (0.61) MMP2MMP9CA1CA2MMP1
SCHEMBL15013716 0.76 ALDH1A1 (0.56) MMP2MMP9CA1CA2MMP1
SCHEMBL3628081 0.76 ALDH1A1 (0.61) MMP2MMP9CA1CA2MMP1
SCHEMBL3109600 0.76 PLCG1 (0.67) MMP2MMP9CA1CA2MMP1

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-7208488-B2 N-substituted benzene sulfonamides ELAN PHARMACEUTICALS, INC. (US) 2007-04-24 US disclosed