SCHEMBL2178144

SCHEMBL2178144

CCc1c(Cl)cccc1N(CC(=O)NCc1cccc(OCC(=O)O)c1)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 10/20 0.63
THRB P10828 1/20 0.52
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA4 P22748 2/20 0.48
CA9 Q16790 2/20 0.48
CNR2 P34972 1/20 0.45
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL13894301 0.92 PTGER1 (0.65) PTGER1THRBCA12CA1CA2
SCHEMBL2176713 0.91 PTGER1 (0.61) PTGER1THRBCA12CA1CA2
SCHEMBL12407575 0.88 PTGER1 (0.57) PTGER1THRBCA12CA1CA2
SCHEMBL27770490 0.88 PTGER1 (0.51) PTGER1THRBCA12CA1CA2
SCHEMBL2175495 0.86 PTGER1 (0.63) PTGER1THRBKEAP1NFE2L2ALDH1A1
SCHEMBL2175531 0.86 PTGER1 (0.55) PTGER1THRBCA12CA1CA2
SCHEMBL2176680 0.86 PTGER1 (0.65) PTGER1THRBALDH1A1LMNAHPGD
SCHEMBL12407580 0.85 PTGER1 (0.53) PTGER1THRBCA12CA1CA2
SCHEMBL12482052 0.84 PTGER1 (0.66) PTGER1THRBCNR2
SCHEMBL2176553 0.83 PTGER1 (0.61) PTGER1THRBALDH1A1LMNAHPGD

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-7973078-B2 Sulfonamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2011-07-05 US claimed