Tetrazole

Tetrazole

SCHEMBL8940457

CSCC[C@H](NC(=O)CN1C(=O)C(N(C)C(=O)C(N)CS)N=C(c2ccccc2)c2ccccc21)C(=O)O.c1nnn[nH]1

nearest known ligand 0.86

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FNTA P49354 5/20 0.58
FNTB P49356 5/20 0.58
OXTR P30559 6/20 0.38
PGGT1B P53609 2/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
ACE P12821 1/20 0.36

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
SCHEMBL8801416 0.93 FNTA (0.64) FNTAFNTBOXTRPGGT1BHDAC3
SCHEMBL29520033 0.93 FNTA (0.64) FNTAFNTBOXTRPGGT1BHDAC3
Tetrazole SCHEMBL8801986 0.90 FNTA (0.47) FNTAFNTBOXTRTP53POLB
SCHEMBL29450579 0.88 FNTA (0.74) FNTAFNTBOXTRHDAC3HDAC1
SCHEMBL8801337 0.88 FNTA (0.63) FNTAFNTBOXTRHDAC3HDAC1
SCHEMBL8802465 0.86 FNTA (0.55) FNTAFNTBOXTRHDAC3HDAC1
SCHEMBL8801123 0.86 FNTA (0.59) FNTAFNTBPGGT1BHDAC3HDAC1
SCHEMBL8940465 0.85 FNTA (0.60) FNTAFNTBOXTRHDAC3HDAC1
SCHEMBL8801631 0.85 FNTA (0.55) FNTAFNTBOXTRPGGT1BTDP1
SCHEMBL8801804 0.85 FNTA (0.54) FNTAFNTBOXTRTP53POLB

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
US-5532359-A FUNGICIDES GENENTECH, INC. (US) 1996-07-02 US 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