SCHEMBL6426481

SCHEMBL6426481

O=C(O)Cc1ccccc1CN(CCOc1cccc(Cl)c1)S(=O)(=O)c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA4 P22748 3/20 0.49
CA9 Q16790 3/20 0.49
PTGER2 P43116 8/20 0.46
KDM4E B2RXH2 2/20 0.43
BDKRB1 P46663 1/20 0.43
NOTUM Q6P988 1/20 0.41
MAPT P10636 2/20 0.41
KEAP1 Q14145 2/20 0.41
NFE2L2 Q16236 2/20 0.41
F2 P00734 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL5043393 0.88 CA12 (0.57) CA12CA1CA2CA4CA9
SCHEMBL5046579 0.81 CA12 (0.53) CA12CA1CA2CA4CA9
SCHEMBL5050303 0.80 CA12 (0.51) CA12CA1CA2CA4CA9
SCHEMBL4944598 0.80 CA12 (0.68) CA12CA1CA2CA4CA9
SCHEMBL13399250 0.76 CA12 (0.57) CA12CA1CA2CA4CA9
SCHEMBL5049383 0.74 CA12 (0.70) CA12CA1CA2CA4CA9
SCHEMBL5046397 0.73 CA12 (0.53) CA12CA1CA2CA4CA9
SCHEMBL6571290 0.71 PTGER2 (0.68) PTGER2KEAP1
SCHEMBL6427663 0.70 PTGER2 (0.48) CA12CA1CA2CA4CA9
SCHEMBL6395776 0.70 CA12 (0.53) CA12CA1CA2CA4CA9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1601351-A1 USE OF EP2 SELECTIVE RECEPTOR AGONISTS IN MEDICAL TREATMENT Pfizer Products Inc. (US) 2005-12-07 EP disclosed
WO-2004078169-A1 USE OF EP2 SELECTIVE RECEPTOR AGONISTS IN MEDICAL TREATMENT PFIZER PRODUCTS INC. (US) 2004-09-16 WO disclosed