SCHEMBL2365733

SCHEMBL2365733

Cc1ccc(OC2CCN(C(=O)c3cncc(Br)c3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL4 Q8NA19 1/20 0.56
L3MBTL3 Q96JM7 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ALDH1A1 P00352 5/20 0.55
HTT P42858 3/20 0.55
HSD17B10 Q99714 2/20 0.51
PKM P14618 1/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
RAB9A P51151 1/20 0.49
MAPT P10636 1/20 0.47
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NAMPT P43490 1/20 0.46
POLB P06746 1/20 0.46
ATM Q13315 1/20 0.46
KDM4E B2RXH2 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
SCHEMBL1809941 0.89 L3MBTL4 (0.56) L3MBTL4L3MBTL3L3MBTL1ALDH1A1HTT
SCHEMBL2366320 0.83 ALDH1A1 (0.54) ALDH1A1HTTPKMKMT2AMEN1
SCHEMBL1806568 0.82 ALDH1A1 (0.55) ALDH1A1HTTPKMKMT2AMEN1
SCHEMBL1806520 0.79 ALDH1A1 (0.60) ALDH1A1HTTPKMKMT2ANAMPT
SCHEMBL12751719 0.78 L3MBTL4 (0.69) L3MBTL4L3MBTL3L3MBTL1ALDH1A1HTT
SCHEMBL12753258 0.77 ALDH1A1 (0.48) ALDH1A1HTTPKMKMT2AMEN1
SCHEMBL1811303 0.76 MGLL (0.57) ALDH1A1HTTPKMKMT2APOLB
SCHEMBL12752422 0.76 ALDH1A1 (0.47) ALDH1A1HTTPKMKMT2AMEN1
SCHEMBL1809258 0.76 ALDH1A1 (0.56) ALDH1A1HTTPKMNAMPT
SCHEMBL1807182 0.76 ALDH1A1 (0.56) ALDH1A1HTTPKMNAMPT

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
EP-2364975-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2011-09-14 EP disclosed