SCHEMBL8238477

SCHEMBL8238477

Cc1c(N)cc(N2CCCCC2)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 2/20 0.47
ALDH1A1 P00352 6/20 0.43
GAA P10253 6/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
HTT P42858 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 3/20 0.43
ALOX15 P16050 2/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
THRB P10828 2/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 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
SCHEMBL8235446 0.72 HPGD (0.56) ALDH1A1GAAKMT2AHTTL3MBTL1
SCHEMBL9831692 0.72 CHKA (0.39) S100BALDH1A1GAAMEN1KMT2A
SCHEMBL10810138 0.71 ALDH1A1 (0.47) S100BALDH1A1GAAMEN1KMT2A
SCHEMBL6223137 0.70 GAA (0.65) S100BALDH1A1GAAMEN1KMT2A
SCHEMBL6273294 0.70 GAA (0.65) S100BALDH1A1GAAMEN1KMT2A
SCHEMBL8864170 0.70 GAA (0.65) S100BALDH1A1GAAMEN1KMT2A
SCHEMBL6826402 0.70 HPGD (0.50) S100BALDH1A1GAAMEN1KMT2A
SCHEMBL20043806 0.70 S100B (0.65) S100BALDH1A1GAAMEN1KMT2A
SCHEMBL5789028 0.69 HRH4 (0.57) S100BALDH1A1GAAMEN1KMT2A
SCHEMBL16056360 0.69 ALDH1A1 (0.49) S100BALDH1A1GAAMEN1KMT2A

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-2007072041-A1 THERAPEUTIC COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-06-28 WO disclosed