SCHEMBL8801630

SCHEMBL8801630

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)Oc1nnn[nH]1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
CTSB P07858 7/20 0.36
CTSL P07711 5/20 0.36
BRD4 O60885 1/20 0.34
BRD2 P25440 1/20 0.34
BRD3 Q15059 1/20 0.34
MAPT P10636 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MCL1 Q07820 1/20 0.34
TP53 P04637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR2B P41595 1/20 0.33
PDE4D Q08499 1/20 0.33

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
SCHEMBL8801769 0.93 BRD4 (0.37) FNTAFNTBCTSBCTSLBRD4
SCHEMBL8801080 0.93 CTSB (0.40) FNTAFNTBCTSBCTSLBRD4
Tetrazole SCHEMBL8801643 0.87 FNTA (0.41) FNTAFNTBCTSBCTSLMAPT
SCHEMBL8800911 0.86 FNTA (0.45) FNTAFNTBCTSBCTSLMAPT
SCHEMBL8940465 0.85 FNTA (0.60) FNTAFNTBTP53SMN1; SMN2
SCHEMBL8801159 0.83 FNTA (0.60) FNTAFNTBCTSBCTSL
SCHEMBL8800669 0.82 FNTA (0.54) FNTAFNTBCTSBCTSL
Tetrazole SCHEMBL8801776 0.81 CTSB (0.38) CTSBCTSLMAPTNPSR1MCL1
Tetrazole SCHEMBL8801092 0.81 CTSB (0.40) FNTAFNTBCTSBCTSLMAPT
SCHEMBL8801168 0.79 FNTA (0.52) FNTAFNTBCTSBCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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