SCHEMBL7744400

SCHEMBL7744400

Cc1cc(C(=O)O)nn1Cc1c(Cl)cccc1Cl.Cc1ccc(C(N)=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 7/20 0.51
P2RY14 Q15391 5/20 0.51
PTGER1 P34995 3/20 0.46

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
SCHEMBL7744750 0.90 SLC22A12 (0.48) SLC22A12P2RY14PTGER1
SCHEMBL3059005 0.88 SLC22A12 (0.55) SLC22A12PTGER1
SCHEMBL7744756 0.83 SLC22A12 (0.47) SLC22A12PTGER1
O-Tolylamine SCHEMBL7744406 0.82 PTGER1 (0.49) SLC22A12PTGER1
SCHEMBL7744713 0.80 KMT2A (0.62) P2RY14PTGER1
SCHEMBL7744403 0.78 MEN1 (0.66) P2RY14PTGER1
SCHEMBL2077298 0.76 MEN1 (0.62) P2RY14PTGER1
SCHEMBL1899144 0.73 AURKA (0.56) PTGER1
SCHEMBL3093042 0.73 KMT2A (0.61) P2RY14PTGER1
SCHEMBL1137143 0.72 PTGER1 (0.59) P2RY14PTGER1

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 claimed
WO-2001057024-A1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS UNIVERSITY COLLEGE LONDON (GB) 2001-08-09 WO claimed