SCHEMBL9505639

SCHEMBL9505639

CCCOCCCOCCCOCCCCNc1cc(C(=S)NCCCSC)ccc1CC

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.34
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
ACAT1 P24752 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HCAR3 P49019 1/20 0.31
NAMPT P43490 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
EPHX2 P34913 1/20 0.31
SIRT5 Q9NXA8 1/20 0.31
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
HDAC8 Q9BY41 1/20 0.30

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 0.95 ACAT1 (0.38) HPGDMAPTGAAACAT1SMN1; SMN2
SCHEMBL9692984 0.95 ACAT1 (0.38) HPGDMAPTGAAACAT1SMN1; SMN2
SCHEMBL9503202 0.93 KMT2A (0.36) HPGDMAPTACAT1SMN1; SMN2HTT
SCHEMBL9502277 0.84 MAPT (0.35) MAPTGAANAMPTPOLBHTT
SCHEMBL9692603 0.84 ACAT1 (0.36) HPGDMAPTGAAACAT1SMN1; SMN2
SCHEMBL9503970 0.83 MAPT (0.35) MAPTACAT1NAMPTPOLBHDAC8
SCHEMBL9502309 0.83 ACAT1 (0.37) HPGDMAPTGAAACAT1SMN1; SMN2
SCHEMBL9506112 0.82 ACAT1 (0.39) HPGDMAPTGAAACAT1SMN1; SMN2
SCHEMBL9505636 0.77 ACAT1 (0.45) HPGDMAPTGAAACAT1SMN1; SMN2
SCHEMBL9692436 0.76 SMN1; SMN2 (0.39) HPGDMAPTGAASMN1; SMN2NAMPT

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