SCHEMBL9506113

SCHEMBL9506113

CCCCCCCCCCCOCCCC(=O)Nc1cc(C(=S)NCCCOC)ccc1CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 4/20 0.40
GAA P10253 3/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ACAT1 P24752 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ALOX12 P18054 1/20 0.38
HDAC3 O15379 3/20 0.38
HTT P42858 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL9503835 0.99 SMN1; SMN2 (0.41) SMN1; SMN2HPGDALDH1A1GAAMAPT
SCHEMBL9502336 0.94 GAA (0.44) SMN1; SMN2ALDH1A1GAATDP1L3MBTL1
SCHEMBL9502131 0.94 GAA (0.44) SMN1; SMN2ALDH1A1GAATDP1L3MBTL1
SCHEMBL9502424 0.94 ACAT1 (0.41) SMN1; SMN2HPGDALDH1A1GAAMAPT
SCHEMBL9502757 0.93 ALDH1A1 (0.41) SMN1; SMN2HPGDALDH1A1GAAMAPT
SCHEMBL9502202 0.93 ACAT1 (0.41) SMN1; SMN2HPGDALDH1A1GAAMAPT
SCHEMBL9692436 0.88 SMN1; SMN2 (0.39) SMN1; SMN2HPGDALDH1A1GAAMAPT
SCHEMBL9506112 0.88 ACAT1 (0.39) SMN1; SMN2HPGDALDH1A1GAAMAPT
SCHEMBL9502449 0.86 HDAC3 (0.44) SMN1; SMN2ALDH1A1GAATDP1L3MBTL1
SCHEMBL9692496 0.86 HDAC3 (0.44) SMN1; SMN2ALDH1A1GAATDP1L3MBTL1

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-0543865-A1 BENZAMIDE DERIVATIVES RHONE-POULENC RORER LIMITED (GB) 1993-06-02 EP disclosed
WO-1992003412-A2 BENZAMIDE DERIVATIVES RHONE-POULENC RORER LIMITED (GB) 1992-03-05 WO disclosed