SCHEMBL5127464

SCHEMBL5127464

N#Cc1ccccc1-c1ccc([C@H](NC(C(N)=O)c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.37
MMP9 P14780 4/20 0.37
PTGS2 P35354 2/20 0.37
PTGS1 P23219 1/20 0.37
FPR1 P21462 1/20 0.37
FPR2 P25090 1/20 0.37
F10 P00742 2/20 0.36
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
ITGB7 P26010 1/20 0.36
ESR2 Q92731 1/20 0.36
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
FFAR1 O14842 2/20 0.35
MME P08473 1/20 0.35
CTSA P10619 1/20 0.35

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
SCHEMBL5176838 0.86 CYP2D6 (0.43) MAPTKDR
SCHEMBL5174648 0.85 MAPT (0.38) MAPTNPSR1KDM4EALDH1A1GLA
SCHEMBL5186098 0.80 SLC6A9 (0.40) MAPTALDH1A1
SCHEMBL5186094 0.80 SLC6A9 (0.40) MAPTALDH1A1
SCHEMBL5175956 0.79 FLT1 (0.40) ALDH1A1GAAKDR
SCHEMBL5175072 0.78 CNR2 (0.42) MAPTNPSR1GAAKDR
SCHEMBL5186687 0.77 S1PR3 (0.39) MAPTNPSR1ALDH1A1
SCHEMBL5186681 0.77 S1PR3 (0.39) MAPTNPSR1ALDH1A1
SCHEMBL5188710 0.76 LTA4H (0.40)
SCHEMBL5112905 0.75 KIF11 (0.36) MMP2MMP9MAPTNPSR1ALDH1A1

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-7345095-B2 Sulfonamide compounds for the treatment of neurodegenerative disorders PFIZER INC (US) 2008-03-18 US disclosed