SCHEMBL7306067

SCHEMBL7306067

CCCCc1nc2c(C)ccc(OCCCCCn3cnc4ccccc43)c2n1Cc1ccc(-c2ccccc2OC(=O)OC(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
AGTR1 P30556 1/20 0.42
AGTR2 P50052 1/20 0.42
PPARG P37231 4/20 0.41
STAT3 P40763 1/20 0.41
TLR7 Q9NYK1 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
SCHEMBL7302801 0.99 LMNA (0.43) LMNAMAPTHTTSMN1; SMN2KDM4E
SCHEMBL7309295 0.97 AGTR1 (0.42) LMNAMAPTHTTSMN1; SMN2KDM4E
SCHEMBL7311710 0.96 AGTR1 (0.42) AGTR1AGTR2PPARGTLR7
SCHEMBL7310642 0.92 LMNA (0.46) LMNAMAPTHTTSMN1; SMN2KDM4E
SCHEMBL7309049 0.91 LMNA (0.47) LMNAMAPTHTTSMN1; SMN2KDM4E
SCHEMBL8847658 0.91 AGTR1 (0.47) LMNAMAPTHTTSMN1; SMN2KDM4E
SCHEMBL8848014 0.90 AGTR1 (0.47) LMNAMAPTHTTSMN1; SMN2KDM4E
SCHEMBL9040325 0.89 PPARG (0.44) AGTR1AGTR2PPARGTLR7
SCHEMBL8848293 0.88 AGTR1 (0.48) AGTR1AGTR2PPARG
SCHEMBL7307822 0.88 AGTR1 (0.46) LMNAMAPTHTTSMN1; SMN2KDM4E

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