SCHEMBL9825596

SCHEMBL9825596

COc1sc(C(=O)Nc2nnn[nH]2)c(OC(C)C)c1Br

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
ICAM1 P05362 1/20 0.33
SELE P16581 1/20 0.33
NPC1 O15118 1/20 0.30
ALPL P05186 1/20 0.30
ALPI P09923 1/20 0.30
ALPG P10696 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL9826617 0.87 MPO (0.37) MPOCYSLTR1ICAM1SELENPC1
SCHEMBL9826206 0.86 MPO (0.37) MPOCYSLTR1ICAM1SELENPC1
SCHEMBL9826224 0.86 MPO (0.37) MPOCYSLTR1ICAM1SELENPC1
SCHEMBL9825931 0.80 MPO (0.39) MPOCYSLTR1ICAM1SELENPC1
SCHEMBL9826694 0.80 PTPN1 (0.39) MPOCYSLTR1
SCHEMBL9826017 0.79 MPO (0.38) MPOCYSLTR1ICAM1SELENPC1
SCHEMBL9827083 0.78 MPO (0.37) MPOCYSLTR1ICAM1SELENPC1
SCHEMBL9827081 0.78 MPO (0.35) MPOCYSLTR1NPC1ALPLALPI
SCHEMBL9826075 0.78 SMN1; SMN2 (0.31) MPOCYSLTR1
SCHEMBL9826274 0.77 MPO (0.37) MPOCYSLTR1ICAM1SELENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0249236-B1 N-1H-TETRAZOL-5-YL-(5-RING)-CARBOXAMIDE-DERIVATIVES, A PROCESS FOR THEIR MANUFACTURE, AND THE USE THEREOF WARNER-LAMBERT COMPANY (US) 1991-04-24 EP claimed
US-4748183-A N-1H-tetrazol-5-yl-2-thiophene carboxamides, N-1H-tetrazol-5-yl-2-pyrrole carboxamides, N-1H-tetrazol-5-yl-2-furan carboxamides, and anti-allergic and anti-inflammatory use thereof WARNER-LAMBERT COMPANY (US) 1988-05-31 US claimed
EP-0249236-A1 N-1H-Tetrazol-5-yl-(5-Ring)-carboxamide-derivatives, a process for their manufacture, and the use thereof WARNER-LAMBERT COMPANY (US) 1987-12-16 EP claimed
EP-0249236-B1 N-1H-TETRAZOL-5-YL-(5-RING)-CARBOXAMIDE-DERIVATIVES, A PROCESS FOR THEIR MANUFACTURE, AND THE USE THEREOF WARNER-LAMBERT COMPANY (US) 1991-04-24 EP disclosed
US-4824958-A Process for the preparation of n-1H-tetrazol-5-yl-2-pyrrole carboxamides WARNER-LAMBERT COMPANY (US) 1989-04-25 US disclosed
US-4748183-A N-1H-tetrazol-5-yl-2-thiophene carboxamides, N-1H-tetrazol-5-yl-2-pyrrole carboxamides, N-1H-tetrazol-5-yl-2-furan carboxamides, and anti-allergic and anti-inflammatory use thereof WARNER-LAMBERT COMPANY (US) 1988-05-31 US disclosed
EP-0249236-A1 N-1H-Tetrazol-5-yl-(5-Ring)-carboxamide-derivatives, a process for their manufacture, and the use thereof WARNER-LAMBERT COMPANY (US) 1987-12-16 EP disclosed