SCHEMBL7744403

SCHEMBL7744403

Cc1ccc(NC(=O)c2cc(C)n(Cc3c(Cl)cccc3Cl)n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.66
KMT2A Q03164 1/20 0.66
AURKA O14965 1/20 0.57
RPS6KB1 P23443 1/20 0.57
LMNA P02545 5/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
TP53 P04637 2/20 0.50
XBP1 P17861 1/20 0.50
HTT P42858 1/20 0.50
PTGER1 P34995 5/20 0.49
MAPT P10636 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
SAE1 Q9UBE0 1/20 0.48
UBA2 Q9UBT2 1/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
RAB9A P51151 1/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48

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
SCHEMBL7744713 0.90 KMT2A (0.62) MEN1KMT2AAURKARPS6KB1PTGER1
SCHEMBL1899144 0.89 AURKA (0.56) MEN1KMT2AAURKARPS6KB1LMNA
SCHEMBL12204899 0.89 AURKA (0.53) MEN1KMT2AAURKARPS6KB1LMNA
SCHEMBL1902344 0.81 MEN1 (0.78) MEN1KMT2AAURKARPS6KB1SMN1; SMN2
SCHEMBL3059005 0.81 SLC22A12 (0.55) PTGER1
SCHEMBL1897273 0.81 MEN1 (0.80) MEN1KMT2AAURKARPS6KB1LMNA
SCHEMBL29699759 0.81 MEN1 (0.79) MEN1KMT2AAURKARPS6KB1LMNA
SCHEMBL1899756 0.80 MEN1 (1.00) MEN1KMT2AAURKARPS6KB1LMNA
SCHEMBL7744400 0.78 SLC22A12 (0.51) PTGER1P2RY14
SCHEMBL29699835 0.75 CYP3A4 (0.83) MEN1KMT2AAURKARPS6KB1TP53

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