SCHEMBL9503964

SCHEMBL9503964

CCSc1ccc(C(=O)NCCCSC)cc1NCCCCCCl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACAT1 P24752 1/20 0.43
NAMPT P43490 1/20 0.39
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 2/20 0.37
TP53 P04637 1/20 0.37
NFKB1 P19838 1/20 0.37
MAPK1 P28482 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
PDGFRA P16234 2/20 0.36
PDGFRB P09619 1/20 0.36
KDR P35968 1/20 0.36
NAAA Q02083 1/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 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
SCHEMBL9502274 0.99 ACAT1 (0.42) ACAT1NAMPTHDAC3HDAC1NPC1
SCHEMBL9506172 0.92 ACAT1 (0.49) ACAT1NAMPTHDAC3HDAC1NPC1
SCHEMBL9504006 0.92 ACAT1 (0.49) ACAT1NAMPTHDAC3HDAC1NPC1
SCHEMBL9503861 0.88 HDAC3 (0.45) ACAT1NAMPTHDAC3HDAC1NPC1
SCHEMBL9502911 0.87 ACAT1 (0.45) ACAT1NAMPTHDAC3HDAC1NPC1
SCHEMBL9503199 0.85 HPGD (0.47) ACAT1NAMPTNPC1RAB9AL3MBTL1
SCHEMBL9505632 0.85 ACAT1 (0.51) ACAT1L3MBTL1SMN1; SMN2HPGDNAAA
SCHEMBL9503112 0.85 ACAT1 (0.51) ACAT1L3MBTL1SMN1; SMN2HPGDNAAA
SCHEMBL9505636 0.84 ACAT1 (0.45) ACAT1NAMPTNPC1RAB9AL3MBTL1
SCHEMBL9504110 0.83 ACAT1 (0.59) ACAT1NAMPTHDAC3NPC1RAB9A

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