SCHEMBL7744713

SCHEMBL7744713

Cc1cc(C(=O)O)nn1Cc1c(Cl)cccc1Cl.Cc1ccc(Cn2nc(C(=O)Nc3ccccc3)cc2C)cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.62
MEN1 O00255 1/20 0.62
AURKA O14965 1/20 0.57
RPS6KB1 P23443 1/20 0.57
P2RY14 Q15391 8/20 0.53
PTGER1 P34995 5/20 0.52
NPSR1 Q6W5P4 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MAPT P10636 1/20 0.47
DHODH Q02127 1/20 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
SCHEMBL7744403 0.90 MEN1 (0.66) KMT2AMEN1AURKARPS6KB1P2RY14
SCHEMBL1902344 0.88 MEN1 (0.78) KMT2AMEN1AURKARPS6KB1P2RY14
SCHEMBL1899144 0.84 AURKA (0.56) KMT2AMEN1AURKARPS6KB1PTGER1
SCHEMBL3059005 0.84 SLC22A12 (0.55) PTGER1
SCHEMBL7744400 0.80 SLC22A12 (0.51) P2RY14PTGER1
SCHEMBL2077298 0.80 MEN1 (0.62) KMT2AMEN1P2RY14PTGER1
SCHEMBL12204899 0.79 AURKA (0.53) KMT2AMEN1AURKARPS6KB1PTGER1
4-Bromoaniline SCHEMBL7739202 0.79 MEN1 (0.80) KMT2AMEN1AURKARPS6KB1P2RY14
SCHEMBL1897273 0.78 MEN1 (0.80) KMT2AMEN1AURKARPS6KB1P2RY14
O-Tolylamine SCHEMBL7744406 0.78 PTGER1 (0.49) 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