SCHEMBL7344708

SCHEMBL7344708

CCCn1nc(C)nc1Cc1ccc(-c2ncccc2C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
AGTR1 P30556 5/20 0.41
PPARG P37231 2/20 0.41
AGTR2 P50052 3/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL7340151 0.94 AGTR1 (0.43) KDM4ETDP1AGTR1PPARGAGTR2
SCHEMBL7344887 0.93 AGTR1 (0.41) KDM4ETDP1AGTR1PPARGAGTR2
SCHEMBL7332613 0.89 KDM4E (0.40) KDM4ETDP1AGTR1PPARGAGTR2
SCHEMBL7343068 0.88 AGTR1 (0.44) KDM4ETDP1AGTR1PPARGAGTR2
SCHEMBL7343189 0.88 HDAC6 (0.43) KDM4ETDP1AGTR1PPARGAGTR2
SCHEMBL7343123 0.88 AGTR1 (0.40) KDM4ETDP1AGTR1AGTR2HCRTR1
SCHEMBL7338584 0.87 KDM4E (0.39) KDM4ETDP1AGTR1PPARGAGTR2
SCHEMBL7334022 0.87 HCRTR1 (0.39) KDM4ETDP1AGTR1PPARGAGTR2
SCHEMBL7342792 0.87 KDM4E (0.39) KDM4ETDP1AGTR1PPARGAGTR2
SCHEMBL7335263 0.86 KDM4E (0.38) KDM4ETDP1AGTR1PPARGAGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6090828-A ARTHERIOSCLEROSIS REITZ DAVID B (US) 2000-07-18 US disclosed
US-5451593-A Method of using 5-arylheteroarylalkyl-1,3,5-trisubstituted-1,2,4-triazole compounds for treatment of a glaucoma disorder G. D. SEARLE & CO. (US) 1995-09-19 US disclosed
US-5451591-A Method of using 5-arylheteroarylalkyl-1,3 5-trisubstituted-1,24-triazole compounds for treatment of circulatory disorders G. D. SEARLE & CO. (US) 1995-09-19 US disclosed
US-5196537-A Angiotensin/II/ antagonists; hypotensive agents G. D. SEARLE & CO. (US) 1993-03-23 US disclosed
WO-1992016523-A1 5-ARYLHETEROARYLALKYL-1,3,5-TRISUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-10-01 WO disclosed
EP-0504888-A1 5-Arylheteroarylalkyl-1,3,5-trisubstituted-1,2,4-triazole compounds for treatment of circulatory disorders G.D. Searle & Co. (US) 1992-09-23 EP disclosed