SCHEMBL8788798

SCHEMBL8788798

CCc1nc2ccc(NCS(=O)(=O)c3ccccc3)cc2n1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.54
RORC P51449 1/20 0.42
EDNRA P25101 1/20 0.42
ALOX5AP P20292 1/20 0.41
AGTR1 P30556 2/20 0.40
AGTR2 P50052 2/20 0.40

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
SCHEMBL8788895 0.94 PPARG (0.64) PPARG
SCHEMBL8789745 0.83 RORC (0.40) PPARGRORCEDNRA
SCHEMBL8788802 0.81 PPARG (0.54) PPARGEDNRAALOX5AP
SCHEMBL7314683 0.81 AGTR1 (0.58) PPARGAGTR1AGTR2
SCHEMBL8848168 0.80 AGTR1 (0.52) PPARGAGTR1AGTR2
SCHEMBL8790319 0.78 AGTR1 (0.67) PPARGAGTR1AGTR2
SCHEMBL8790323 0.78 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL8789960 0.77 PPARG (0.47) PPARG
SCHEMBL8789490 0.75 AGTR1 (0.51) PPARGAGTR1AGTR2
SCHEMBL8789971 0.75 PPARG (0.65) PPARGEDNRAAGTR1AGTR2

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-0468470-B1 Benzimidazoles, medicaments containing them and process for their preparation THOMAE GMBH DR K (DE) 1997-04-16 EP disclosed
US-5587393-A ANGIOTENSIN ANTAGONIST USEFUL IN TREATING HYPERTENSION DR. KARL THOMAE GMBH (DE) 1996-12-24 US disclosed
US-5385925-A Benzimidazoles, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1995-01-31 US disclosed
EP-0468470-A1 Benzimidazoles, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1992-01-29 EP disclosed