SCHEMBL11215151

SCHEMBL11215151

CCCS(=O)(=O)OC1=C(C(=O)Nc2cccc(C)n2)N(C)S(=O)(=O)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
HTR2B P41595 1/20 0.49
PTGS1 P23219 4/20 0.47
PTGS2 P35354 3/20 0.47
KDM4E B2RXH2 2/20 0.47
USP2 O75604 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX15 P16050 1/20 0.47
NFKB1 P19838 1/20 0.47
CYP2C19 P33261 1/20 0.47
BLM P54132 1/20 0.47
SLC22A6 Q4U2R8 1/20 0.47
SLC22A8 Q8TCC7 1/20 0.47
MAPK1 P28482 1/20 0.46
HTR1A P08908 1/20 0.45
KDR P35968 1/20 0.45
HSD11B1 P28845 1/20 0.41

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
SCHEMBL11222163 0.93 LMNA (0.47) LMNAHTR2BPTGS1PTGS2KDM4E
SCHEMBL11037931 0.88 PTGS1 (0.51) LMNAHTR2BPTGS1PTGS2KDM4E
SCHEMBL11222805 0.83 MAPT (0.53) LMNAHTR2BPTGS1PTGS2KDM4E
SCHEMBL11221782 0.83 LMNA (0.52) LMNAHTR2BPTGS1PTGS2KDM4E
SCHEMBL11223009 0.82 PTGS1 (0.62) LMNAHTR2BPTGS1PTGS2KDM4E
SCHEMBL11038921 0.82 PTGS1 (0.55) LMNAHTR2BPTGS1PTGS2KDM4E
SCHEMBL9644986 0.81 PTGS1 (0.53) LMNAHTR2BPTGS1PTGS2KDM4E
SCHEMBL11222276 0.80 PTGS1 (0.60) LMNAHTR2BPTGS1PTGS2KDM4E
SCHEMBL10585494 0.80 LMNA (0.57) LMNAHTR2BPTGS1PTGS2KDM4E
SCHEMBL11227417 0.80 PTGS1 (0.67) LMNAHTR2BPTGS1PTGS2KDM4E

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-4309427-A ANTIINFLAMMATORY AGENTS PFIZER INC. (US) 1982-01-05 US disclosed