SCHEMBL7744756

SCHEMBL7744756

Cc1cc(C(=O)O)nn1Cc1c(Cl)cccc1Cl.Cc1cccc(N)c1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 3/20 0.47
PTGER1 P34995 5/20 0.46
GAA P10253 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
SCHEMBL3059005 0.89 SLC22A12 (0.55) SLC22A12PTGER1
SCHEMBL7744750 0.87 SLC22A12 (0.48) SLC22A12PTGER1
O-Tolylamine SCHEMBL7744406 0.85 PTGER1 (0.49) SLC22A12PTGER1GAA
SCHEMBL7744400 0.83 SLC22A12 (0.51) SLC22A12PTGER1
SCHEMBL1899144 0.78 AURKA (0.56) PTGER1
SCHEMBL7744713 0.77 KMT2A (0.62) PTGER1
SCHEMBL7744403 0.74 MEN1 (0.66) PTGER1
SCHEMBL1137143 0.73 PTGER1 (0.59) PTGER1
SCHEMBL2077298 0.72 MEN1 (0.62) PTGER1
SCHEMBL18295022 0.72 PTGER1 (0.64) PTGER1

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-1252156-A1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS University College London (GB) 2002-10-30 EP disclosed
WO-2001057024-A1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS UNIVERSITY COLLEGE LONDON (GB) 2001-08-09 WO disclosed