SCHEMBL9505690

SCHEMBL9505690

CCCCCCCOCCCOCCCC(=O)Nc1cc(C(=S)NCCCSC)ccc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.41
MAPT P10636 2/20 0.41
ACAT1 P24752 1/20 0.39
GAA P10253 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
HDAC3 O15379 2/20 0.37
TSHR P16473 1/20 0.37
POLB P06746 3/20 0.37
LMNA P02545 2/20 0.37
SELL P14151 1/20 0.36
SELP P16109 1/20 0.36
SELE P16581 1/20 0.36
HTT P42858 2/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 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
SCHEMBL9692890 0.93 SMN1; SMN2 (0.41) L3MBTL1MAPTACAT1GAATDP1
SCHEMBL9692556 0.92 HDAC3 (0.43) L3MBTL1MAPTGAATDP1HDAC3
SCHEMBL9502457 0.92 SMN1; SMN2 (0.42) L3MBTL1MAPTACAT1GAATDP1
SCHEMBL9506112 0.91 ACAT1 (0.39) L3MBTL1MAPTACAT1GAATDP1
SCHEMBL9502162 0.86 HDAC3 (0.44) L3MBTL1MAPTGAATDP1HDAC3
SCHEMBL9502976 0.86 HDAC3 (0.44) L3MBTL1MAPTGAATDP1HDAC3
SCHEMBL9502293 0.86 POLB (0.40) L3MBTL1MAPTGAATDP1HDAC3
SCHEMBL9692603 0.86 ACAT1 (0.36) L3MBTL1MAPTACAT1GAAPOLB
SCHEMBL9502309 0.85 ACAT1 (0.37) L3MBTL1MAPTACAT1GAAPOLB
SCHEMBL9502202 0.83 ACAT1 (0.41) L3MBTL1MAPTACAT1GAATDP1

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