SCHEMBL8801080

SCHEMBL8801080

CC(C)C[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 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSB P07858 7/20 0.40
CTSL P07711 5/20 0.36
NOTCH1 P46531 1/20 0.36
RBPJ Q06330 1/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
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
HTR2B P41595 1/20 0.34
PDE4D Q08499 1/20 0.34
TP53 P04637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
OXTR P30559 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) CTSBCTSLFNTAFNTBBRD4
SCHEMBL8801630 0.93 FNTA (0.43) CTSBCTSLFNTAFNTBBRD4
Tetrazole SCHEMBL8801092 0.87 CTSB (0.40) CTSBCTSLNOTCH1RBPJFNTA
SCHEMBL8801991 0.83 FNTA (0.47) CTSBFNTAFNTBTP53SMN1; SMN2
Tetrazole SCHEMBL8801776 0.81 CTSB (0.38) CTSBCTSLMAPTNPSR1MCL1
Tetrazole SCHEMBL8801643 0.81 FNTA (0.41) CTSBCTSLFNTAFNTBMAPT
SCHEMBL8800443 0.79 CTSB (0.38) CTSBCTSLFNTAFNTBMAPT
SCHEMBL8800911 0.79 FNTA (0.45) CTSBCTSLFNTAFNTBMAPT
SCHEMBL8669346 0.78 HTR2B (0.41) NOTCH1RBPJBRD4BRD2BRD3
SCHEMBL8940465 0.77 FNTA (0.60) FNTAFNTBTP53SMN1; SMN2OXTR

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