SCHEMBL9825815

SCHEMBL9825815

Cc1sc(C(=O)O)c(SC(C)C)c1Br

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.45
FNTA P49354 12/20 0.36
FNTB P49356 12/20 0.36
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GRIA4 P48058 1/20 0.32

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
SCHEMBL9826348 0.81 ALDH1A1 (0.41) GPR35KMT2AALDH1A1HSD17B10
SCHEMBL1760864 0.71 GPR35 (0.55) GPR35KMT2AALDH1A1
SCHEMBL2727696 0.71 GPR35 (0.66) GPR35KMT2AALDH1A1
SCHEMBL9826184 0.71 ALDH1A1 (0.30) ALDH1A1
SCHEMBL7233575 0.68 GPR35 (0.52) GPR35KMT2AALDH1A1
SCHEMBL9826280 0.68 GPR35 (0.52) GPR35KMT2AALDH1A1
SCHEMBL1760858 0.66 GPR35 (0.49) GPR35ALDH1A1HSD17B10
SCHEMBL9117738 0.64 GPR35 (0.48) GPR35ALDH1A1GRIA4
SCHEMBL9253125 0.64 ALDH1A1 (0.34) FNTAFNTBKMT2AALDH1A1HSD17B10
SCHEMBL9253128 0.63 ALDH1A1 (0.33) KMT2AALDH1A1HSD17B10

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
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