SCHEMBL7307822

SCHEMBL7307822

CCCCc1nc2c(C)ccc(OCCn3cnc4ccccc43)c2n1Cc1ccc(-c2ccccc2OC(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.46
AGTR2 P50052 2/20 0.46
PPARG P37231 4/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL7309049 0.97 LMNA (0.47) AGTR1AGTR2PPARGKDM4EALDH1A1
SCHEMBL7310642 0.96 LMNA (0.46) AGTR1AGTR2PPARGKDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL7308425 0.93 AGTR1 (0.43) AGTR1AGTR2PPARGKDM4EALDH1A1
SCHEMBL7311710 0.92 AGTR1 (0.42) AGTR1AGTR2PPARG
SCHEMBL7307814 0.91 AGTR1 (0.59) AGTR1AGTR2PPARG
SCHEMBL7309295 0.89 AGTR1 (0.42) AGTR1AGTR2PPARGKDM4EALDH1A1
SCHEMBL7302801 0.89 LMNA (0.43) AGTR1AGTR2PPARGKDM4EALDH1A1
SCHEMBL9045043 0.88 PPARG (0.47) AGTR1AGTR2PPARG
SCHEMBL7306067 0.88 LMNA (0.42) AGTR1AGTR2PPARGKDM4EALDH1A1
SCHEMBL7309046 0.88 AGTR1 (0.58) AGTR1AGTR2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0502314-A1 Benzimidazol, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1992-09-09 EP disclosed