SCHEMBL5260772

SCHEMBL5260772

CN(Cc1ccc(Cl)c(Br)c1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HPGD P15428 2/20 0.45
RAB9A P51151 4/20 0.45
HTT P42858 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HSP90AA1 P07900 4/20 0.43
NPC1 O15118 3/20 0.42
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
AOC3 Q16853 1/20 0.40
ERCC1 P07992 1/20 0.40
ERCC4 Q92889 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 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
SCHEMBL12480587 0.87 MAOB (0.45) MEN1KMT2AHPGDRAB9AHTT
SCHEMBL8754543 0.85 PYCR1 (0.50) MEN1KMT2ARAB9AHTTALDH1A1
SCHEMBL4180366 0.80 HTR2C (0.42) MEN1KMT2ARAB9AHTTALDH1A1
SCHEMBL15051655 0.79 HTR7 (0.47) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL4704482 0.78 MEN1 (0.44) MEN1KMT2AHPGDRAB9AHTT
SCHEMBL18421556 0.77 HPGD (0.45) MEN1KMT2AHPGDRAB9AHTT
SCHEMBL1893045 0.77 PYCR1 (0.52) MEN1KMT2AHPGDRAB9AHTT
SCHEMBL31079746 0.76 CYP19A1 (0.45) HPGDALDH1A1MAPT
SCHEMBL12481908 0.75 TDP1 (0.43) MEN1KMT2AHPGDRAB9AHTT
SCHEMBL31411911 0.74 NCEH1 (0.46) MEN1KMT2AHPGDRAB9ANPC1

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-1817297-A1 DIBENZYL AMINE COMPOUNDS AND DERIVATIVES Pfizer Products Inc. (US) 2007-08-15 EP disclosed
WO-2006056854-A1 DIBENZYL AMINE COMPOUNDS AND DERIVATIVES PFIZER PRODUCTS INC. (US) 2006-06-01 WO disclosed