SCHEMBL13664802

SCHEMBL13664802

CC(CC(=O)NCc1ccccc1)Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
TACR1 P25103 2/20 0.49
TRPV1 Q8NER1 1/20 0.49
HPGD P15428 1/20 0.49
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.46
FPR2 P25090 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 2/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
HSD17B2 P37059 1/20 0.45
PLA2G1B P04054 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
RAB9A P51151 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
SCHEMBL9703791 0.80 CYP3A4 (0.53) MEN1KMT2AMAPTALDH1A1CA2
SCHEMBL8716574 0.77 SIGMAR1 (0.52) MEN1KMT2AHTTFPR2RAB9A
SCHEMBL13664869 0.75 SIGMAR1 (0.46) MEN1KMT2AHTTFPR2L3MBTL1
SCHEMBL7815227 0.73 FNTA (0.51) MEN1KMT2ATACR1TRPV1HPGD
SCHEMBL6403394 0.73 KMT2A (0.63) MEN1KMT2AHPGDMAPTL3MBTL1
SCHEMBL5866871 0.73 ALDH1A1 (0.71) MEN1KMT2AHPGDMAPTHTT
SCHEMBL31705983 0.73 ALDH1A1 (0.57) MEN1KMT2AMAPTHTTFPR2
SCHEMBL6078622 0.73 TSHR (0.62) MEN1KMT2ATRPV1HPGDALDH1A1
SCHEMBL4415399 0.72 OPRK1 (0.51) MEN1KMT2ATACR1HPGDMAPT
SCHEMBL4415396 0.72 OPRK1 (0.51) MEN1KMT2ATACR1HPGDMAPT

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-2009119528-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2009-10-01 WO disclosed