SCHEMBL27728526

SCHEMBL27728526

CCCCCCCCOc1ccc(Br)cc1C[O]

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
NPSR1 Q6W5P4 1/20 0.56
NPC1 O15118 2/20 0.51
LMNA P02545 2/20 0.51
RAB9A P51151 2/20 0.51
MEN1 O00255 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 1/20 0.51
CYSLTR2 Q9NS75 1/20 0.49
CYSLTR1 Q9Y271 1/20 0.49
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
PLA2G2D Q9UNK4 1/20 0.44
SMPD1 P17405 3/20 0.44
PTPN11 Q06124 2/20 0.44
S1PR3 Q99500 1/20 0.44
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL4143119 0.84 SMN1; SMN2 (0.60) SMN1; SMN2NPSR1NPC1LMNARAB9A
SCHEMBL4156216 0.84 SMN1; SMN2 (0.60) SMN1; SMN2NPSR1NPC1LMNARAB9A
SCHEMBL10384247 0.82 SMN1; SMN2 (0.57) SMN1; SMN2NPSR1NPC1LMNARAB9A
SCHEMBL29840690 0.82 SMN1; SMN2 (0.52) SMN1; SMN2NPSR1NPC1LMNARAB9A
SCHEMBL1777203 0.82 SMN1; SMN2 (0.52) SMN1; SMN2NPSR1NPC1LMNARAB9A
SCHEMBL5441890 0.82 SMN1; SMN2 (0.52) SMN1; SMN2NPSR1NPC1LMNARAB9A
SCHEMBL16306933 0.81 LMNA (0.57) SMN1; SMN2NPSR1NPC1LMNARAB9A
SCHEMBL15025770 0.80 SMN1; SMN2 (0.51) SMN1; SMN2NPSR1NPC1LMNARAB9A
SCHEMBL1459228 0.80 SMN1; SMN2 (0.54) SMN1; SMN2NPSR1NPC1LMNARAB9A
SCHEMBL10482310 0.78 PTGDR2 (0.57) SMN1; SMN2NPSR1CYSLTR2CYSLTR1HPGD

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
CN-101346346-B Amine compound and use thereof for medical purposes MITSUBISH TANABE PHARMA CORP 2012-08-22 CN disclosed
CN-101346346-A Amine compound and use thereof for medical purposes MITSUBISH TANABE PHARMA CORP (JP) 2009-01-14 CN disclosed