SCHEMBL1844181

SCHEMBL1844181

CC(C)c1ccc(NCCCC#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.49
ALDH1A1 P00352 4/20 0.49
HTT P42858 1/20 0.45
THRB P10828 1/20 0.41
LMNA P02545 1/20 0.40
ICMT O60725 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
HPGD P15428 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
EPHX1 P07099 1/20 0.38
POLB P06746 1/20 0.38
STK17B O94768 1/20 0.37
STK17A Q9UEE5 1/20 0.37
MAPT P10636 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL5551251 0.81 MAPT (0.59) GAAALDH1A1HTTTHRBHPGD
SCHEMBL7100388 0.81 GAA (0.47) GAAALDH1A1HTTTHRBLMNA
SCHEMBL2064181 0.80 MAPT (0.54) GAAALDH1A1LMNAICMTSMN1; SMN2
SCHEMBL854855 0.79 EPHX1 (0.51) GAAALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL11113503 0.78 ALDH1A1 (0.47) ALDH1A1HTTLMNASMN1; SMN2HPGD
SCHEMBL103979 0.78 STK17A (0.55) GAAALDH1A1LMNAEPHX1STK17B
SCHEMBL11117632 0.78 STK17B (0.45) GAAALDH1A1ICMTSMN1; SMN2HPGD
SCHEMBL9988787 0.77 GAA (0.81) GAAALDH1A1HTTTHRBNPC1
SCHEMBL5506124 0.77 ALDH1A1 (0.64) GAAALDH1A1HTTTHRBICMT
SCHEMBL5504318 0.77 GAA (0.46) GAAALDH1A1HTTTHRBMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1318140-B9 NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2014-05-21 EP disclosed
EP-1318140-B1 NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2011-05-18 EP disclosed
EP-1318140-A1 NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF UGS Mitsubishi Pharma Corporation (JP) 2003-06-11 EP disclosed