SCHEMBL9504110

SCHEMBL9504110

CCCCCCCCCCCCCCCCCCNc1cc(C(=O)NCCCSC)ccc1SC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACAT1 P24752 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.49
HPGD P15428 2/20 0.48
NAAA Q02083 4/20 0.47
MLYCD O95822 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
CA2 P00918 1/20 0.44
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
NAMPT P43490 1/20 0.42
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL9502303 0.94 ACAT1 (0.61) ACAT1L3MBTL1HPGDNAAAMLYCD
SCHEMBL9503973 0.93 ACAT1 (0.60) ACAT1L3MBTL1HPGDNAAAMLYCD
SCHEMBL9504006 0.91 ACAT1 (0.49) ACAT1L3MBTL1HPGDNAAAMLYCD
SCHEMBL9506172 0.91 ACAT1 (0.49) ACAT1L3MBTL1HPGDNAAAMLYCD
SCHEMBL9502436 0.88 ACAT1 (0.61) ACAT1SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL9505632 0.85 ACAT1 (0.51) ACAT1L3MBTL1HPGDNAAAMLYCD
SCHEMBL9503112 0.85 ACAT1 (0.51) ACAT1L3MBTL1HPGDNAAAMLYCD
SCHEMBL9503964 0.83 ACAT1 (0.43) ACAT1L3MBTL1HPGDNAAAMLYCD
SCHEMBL9502971 0.82 ACAT1 (0.59) ACAT1L3MBTL1HPGDSMN1; SMN2ALDH1A1
SCHEMBL9506162 0.82 ACAT1 (0.59) ACAT1L3MBTL1HPGDSMN1; SMN2ALDH1A1

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