SCHEMBL8800911

SCHEMBL8800911

CSCC[C@H](NC(=O)CN1C(=O)C(N(C)C(=O)C(N)CSSC(C)(C)C)N=C(c2ccccc2)c2cc(Cl)ccc21)C(=O)OC1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
CTSB P07858 8/20 0.36
CTSL P07711 6/20 0.36
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MCL1 Q07820 1/20 0.36
OXTR P30559 1/20 0.36
HTR2B P41595 1/20 0.36
PDE4D Q08499 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 2/20 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
SCHEMBL8801168 0.94 FNTA (0.52) FNTAFNTBCTSBCTSLOXTR
SCHEMBL8800443 0.93 CTSB (0.38) FNTAFNTBCTSBCTSLMAPT
SCHEMBL8801630 0.86 FNTA (0.43) FNTAFNTBCTSBCTSLMAPT
SCHEMBL8800418 0.86 FNTA (0.42) FNTAFNTBCTSBCTSLOXTR
SCHEMBL8672877 0.86 FNTA (0.37) FNTAFNTBHTR2BPDE4D
Tetrazole SCHEMBL8801643 0.85 FNTA (0.41) FNTAFNTBCTSBCTSLMAPT
SCHEMBL8801159 0.85 FNTA (0.60) FNTAFNTBCTSBCTSLOXTR
SCHEMBL8800669 0.84 FNTA (0.54) FNTAFNTBCTSBCTSLOXTR
SCHEMBL8801631 0.80 FNTA (0.55) FNTAFNTBMAPTNPSR1MCL1
SCHEMBL8674131 0.80 HTR2B (0.36) FNTAFNTBHTR2BPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994026723-A2 ras FARNESYL TRANSFERASE INHIBITORS GENENTECH, INC. (US) 1994-11-24 WO claimed
EP-0763537-A2 Non-peptidyl Ras farnesyl transferase inhibitors GENENTECH, INC. (US) 1997-03-19 EP disclosed
EP-0698015-A1 PREPARATION OF N-CYANODITHIOIMINO-CARBONATES AND 3-MERCAPTO-5-AMINO-1H-1,2,4-TRIAZOLE GENENTECH, INC. (US) 1996-02-28 EP disclosed
WO-1994026723-A2 ras FARNESYL TRANSFERASE INHIBITORS GENENTECH, INC. (US) 1994-11-24 WO disclosed