SCHEMBL9502274

SCHEMBL9502274

CCSc1ccc(C(=O)NCCCSC)cc1NCCCCCl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACAT1 P24752 1/20 0.42
NAMPT P43490 1/20 0.40
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
HPGD P15428 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TP53 P04637 1/20 0.38
NFKB1 P19838 1/20 0.38
MAPK1 P28482 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
PDGFRA P16234 2/20 0.36
PDGFRB P09619 1/20 0.36
KDR P35968 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL9503964 0.99 ACAT1 (0.43) ACAT1NAMPTNPC1RAB9AHPGD
SCHEMBL9506172 0.90 ACAT1 (0.49) ACAT1NAMPTNPC1RAB9AHPGD
SCHEMBL9504006 0.90 ACAT1 (0.49) ACAT1NAMPTNPC1RAB9AHPGD
SCHEMBL9503861 0.89 HDAC3 (0.45) ACAT1NAMPTNPC1RAB9ASMN1; SMN2
SCHEMBL9502911 0.88 ACAT1 (0.45) ACAT1NAMPTNPC1RAB9ASMN1; SMN2
SCHEMBL9505636 0.85 ACAT1 (0.45) ACAT1NAMPTNPC1RAB9AHPGD
SCHEMBL9503199 0.84 HPGD (0.47) ACAT1NAMPTNPC1RAB9AHPGD
SCHEMBL9503112 0.84 ACAT1 (0.51) ACAT1HPGDSMN1; SMN2L3MBTL1POLB
SCHEMBL9505632 0.84 ACAT1 (0.51) ACAT1HPGDSMN1; SMN2L3MBTL1POLB
SCHEMBL9504110 0.81 ACAT1 (0.59) ACAT1NAMPTNPC1RAB9AHPGD

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