SCHEMBL8934745

SCHEMBL8934745

Cc1cccc(NC(=O)c2cccc(NC[C@H](N)CS)c2)c1C.N[C@@H](CS)CNc1cccc(C(=O)NCc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.48
SIRT2 Q8IXJ6 1/20 0.48
LMNA P02545 2/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 1/20 0.46
ITGA4 P13612 1/20 0.45
ITGB7 P26010 1/20 0.45
ROCK2 O75116 3/20 0.44
GRK2 P25098 3/20 0.44
PRKCA P17252 2/20 0.44
GRK3 P35626 1/20 0.44
GRK7 Q8WTQ7 1/20 0.44
FNTA P49354 3/20 0.43
FNTB P49356 3/20 0.43
PGGT1B P53609 3/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL8934744 1.00 HTT (0.48) HTTSIRT2LMNAMAPK1ALDH1A1
SCHEMBL7993175 0.91 FNTA (0.48) HTTLMNAFNTAFNTBPGGT1B
SCHEMBL7995119 0.91 FNTA (0.48) HTTLMNAFNTAFNTBPGGT1B
SCHEMBL7993171 0.91 FNTA (0.48) HTTLMNAFNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL8869226 0.90 FNTA (0.47) HTTLMNAALDH1A1FNTAFNTB
Hydrochloric Acid SCHEMBL7982918 0.90 FNTA (0.47) HTTLMNAALDH1A1FNTAFNTB
Hydrochloric Acid SCHEMBL7982923 0.90 FNTA (0.47) HTTLMNAALDH1A1FNTAFNTB
SCHEMBL7996400 0.87 SIRT2 (0.54) SIRT2LMNAMAPK1ROCK2GRK2
SCHEMBL7996402 0.87 SIRT2 (0.54) SIRT2LMNAMAPK1ROCK2GRK2
Hydrochloric Acid SCHEMBL7996930 0.86 SIRT2 (0.53) SIRT2LMNAMAPK1ROCK2GRK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996030014-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-10-03 WO disclosed