SCHEMBL5591804

SCHEMBL5591804

Cc1ccc(S(=O)(=O)n2cc(COS(C)(=O)=O)nc2C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
RAPGEF4 Q8WZA2 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
ALDH3A1 P30838 2/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
NOD1 Q9Y239 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
KDM4E B2RXH2 2/20 0.36
UBE2N P61088 1/20 0.36
HTR6 P50406 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RCE1 Q9Y256 1/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.35
CYP2C19 P33261 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
SCHEMBL5591250 0.80 ALDH1A1 (0.50) ALDH1A1RAPGEF4L3MBTL1ALDH3A1POLB
SCHEMBL5591442 0.76 KMT2A (0.48) ALDH1A1L3MBTL1ALDH3A1POLBHTT
SCHEMBL11604607 0.75 ALDH1A1 (0.76) ALDH1A1RAPGEF4L3MBTL1ALDH3A1POLB
SCHEMBL5591566 0.74 TSHR (0.53) ALDH1A1RAPGEF4L3MBTL1ALDH3A1POLB
SCHEMBL8118164 0.73 RAPGEF4 (0.43) ALDH1A1RAPGEF4L3MBTL1ALDH3A1POLB
SCHEMBL7317576 0.72 ALDH1A1 (0.54) ALDH1A1RAPGEF4L3MBTL1ALDH3A1POLB
SCHEMBL5591491 0.71 GRM4 (0.43) ALDH1A1RAPGEF4POLBHTTCA1
SCHEMBL8508592 0.71 ALDH1A1 (0.41) ALDH1A1RAPGEF4L3MBTL1ALDH3A1POLB
SCHEMBL5306872 0.70 ALDH1A1 (0.51) ALDH1A1RAPGEF4L3MBTL1ALDH3A1POLB
SCHEMBL5271083 0.69 ALDH1A1 (0.50) ALDH1A1RAPGEF4L3MBTL1ALDH3A1POLB

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