Sugi Predict

Sugi Predict / Compounds / Tetrazole

Tetrazole

Tetrazole

SCHEMBL8801643

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)O.c1nnn[nH]1

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 4/20 0.41
▸ FNTB P49356 4/20 0.41
▸ CTSB P07858 6/20 0.36
▸ CTSL P07711 4/20 0.36
▸ PGGT1B P53609 1/20 0.35
▸ MAPT P10636 3/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ TP53 P04637 2/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
Tetrazole SCHEMBL8801776 0.93 CTSB (0.38) CTSBCTSLMAPTNPSR1MCL1
Tetrazole SCHEMBL8801092 0.93 CTSB (0.40) FNTAFNTBCTSBCTSLPGGT1B
SCHEMBL8801630 0.87 FNTA (0.43) FNTAFNTBCTSBCTSLMAPT
SCHEMBL8800911 0.85 FNTA (0.45) FNTAFNTBCTSBCTSLMAPT
Tetrazole SCHEMBL8940457 0.84 FNTA (0.58) FNTAFNTBPGGT1BTP53
SCHEMBL8801631 0.84 FNTA (0.55) FNTAFNTBPGGT1BMAPTNPSR1
SCHEMBL8801159 0.82 FNTA (0.60) FNTAFNTBCTSBCTSL
SCHEMBL8800669 0.81 FNTA (0.54) FNTAFNTBCTSBCTSL
SCHEMBL8801080 0.81 CTSB (0.40) FNTAFNTBCTSBCTSLMAPT
SCHEMBL8801769 0.81 BRD4 (0.37) FNTAFNTBCTSBCTSLMAPT

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