SCHEMBL5591195

SCHEMBL5591195

Cc1ccc(S(=O)(=O)OCCc2ccnn2S(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MCOLN3 Q8TDD5 2/20 0.40
GAA P10253 1/20 0.40
CA1 P00915 2/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
PKM P14618 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PSMD10 O75832 1/20 0.38
SLC9A1 P19634 1/20 0.37
POLB P06746 2/20 0.37
MMP2 P08253 1/20 0.37
HTT P42858 1/20 0.37
RAPGEF4 Q8WZA2 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL4510449 0.84 CA12 (0.39) ALDH1A1CA1CA12CA9PKM
SCHEMBL241884 0.73 CA1 (0.52) ALDH1A1GAACA1CA12CA9
SCHEMBL6906905 0.72 CA1 (0.50) ALDH1A1GAACA1CA12CA9
SCHEMBL18289524 0.72 CA1 (0.50) ALDH1A1GAACA1CA12CA9
SCHEMBL11564574 0.71 KDM4E (0.48) MAPTCA1CA12CA9PKM
SCHEMBL15467048 0.71 CA12 (0.44) ALDH1A1GAACA1CA12CA9
SCHEMBL27602739 0.70 CA12 (0.46) ALDH1A1GAACA1CA12CA9
SCHEMBL483847 0.69 ALDH1A1 (0.50) ALDH1A1GAACA1CA12CA9
Water SCHEMBL7788572 0.69 CA1 (0.50) ALDH1A1GAACA1CA12CA9
Ethylene SCHEMBL3466431 0.69 CA1 (0.50) ALDH1A1GAACA1CA12CA9

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
WO-2007034277-A1 ARYL SUBSTITUTED IMIDAZO [4,5-C] PYRIDINE COMPOUNDS AS C3A RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2007-03-29 WO disclosed