SCHEMBL9503202

SCHEMBL9503202

CCOCCCOCCCOCCCCCNc1cc(C(=S)NCCCSC)ccc1CC

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 7/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
RAB9A P51151 3/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 2/20 0.35
MEN1 O00255 1/20 0.33
MAPT P10636 3/20 0.32
ACAT1 P24752 1/20 0.32
ALDH1A1 P00352 2/20 0.32
RXFP1 Q9HBX9 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL9503117 0.94 ACAT1 (0.38) L3MBTL1HPGDSMN1; SMN2MAPTACAT1
SCHEMBL9692984 0.94 ACAT1 (0.38) L3MBTL1HPGDSMN1; SMN2MAPTACAT1
SCHEMBL9505639 0.93 HPGD (0.34) KMT2AL3MBTL1HPGDSMN1; SMN2RAB9A
SCHEMBL9503970 0.85 MAPT (0.35) MAPTACAT1ALDH1A1
SCHEMBL9502277 0.83 MAPT (0.35) HTTMAPTALDH1A1
SCHEMBL9692603 0.83 ACAT1 (0.36) L3MBTL1HPGDSMN1; SMN2HTTMAPT
SCHEMBL9502309 0.82 ACAT1 (0.37) L3MBTL1HPGDSMN1; SMN2HTTMAPT
SCHEMBL9506112 0.81 ACAT1 (0.39) L3MBTL1HPGDSMN1; SMN2RAB9AHTT
SCHEMBL9677499 0.80 HPGD (0.36) KMT2AL3MBTL1HPGDSMN1; SMN2RAB9A
SCHEMBL9503199 0.77 HPGD (0.47) KMT2AL3MBTL1HPGDSMN1; SMN2RAB9A

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