SCHEMBL14456972

SCHEMBL14456972

CN(Cc1ccc(Cl)cc1Cl)C(=O)c1cccc(Oc2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
ATM Q13315 1/20 0.45
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
CETP P11597 2/20 0.41
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
KCNH2 Q12809 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
CFTR P13569 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
CYP2C9 P11712 1/20 0.41
RAB9A P51151 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
RAF1 P04049 2/20 0.41
MAOB P27338 1/20 0.40
CYP11B1 P15538 1/20 0.40

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
SCHEMBL14456734 0.81 KMT2A (0.51) MEN1KMT2ANR4A1NR4A2NR4A3
SCHEMBL14456851 0.80 KMT2A (0.58) MEN1KMT2AATMCETPSLC6A4
SCHEMBL13876173 0.80 TP53 (0.56) RAF1TRPV1LMNA
SCHEMBL5642804 0.79 MEN1 (0.50) MEN1KMT2ANR4A1NR4A2NR4A3
SCHEMBL5644342 0.75 SLC6A2 (0.55) MEN1KMT2AATMNR4A1NR4A2
SCHEMBL14457441 0.74 MEN1 (0.46) MEN1KMT2AATMNR4A2SLC6A4
SCHEMBL5642176 0.72 ERCC1 (0.48) MEN1KMT2ANR4A2SLC6A4NPC1
SCHEMBL4616603 0.71 PPARA (0.65) MEN1KMT2A
SCHEMBL4742580 0.70 AKR1C3 (0.70) MEN1KMT2ANR4A2NPC1POLB
SCHEMBL4616819 0.70 PPARD (0.56) MEN1KMT2AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007098352-A2 SUBSTITUTED PYRIDINEAMIDE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-30 WO disclosed