SCHEMBL7310642

SCHEMBL7310642

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

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
AGTR1 P30556 1/20 0.45
AGTR2 P50052 1/20 0.45
PPARG P37231 6/20 0.44
STAT3 P40763 1/20 0.43

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 0.99 LMNA (0.47) LMNAMAPTHTTSMN1; SMN2KDM4E
SCHEMBL7307822 0.96 AGTR1 (0.46) LMNAMAPTHTTSMN1; SMN2KDM4E
Trifluoroacetic Acid SCHEMBL7308425 0.94 AGTR1 (0.43) LMNAMAPTHTTSMN1; SMN2KDM4E
SCHEMBL7306067 0.92 LMNA (0.42) LMNAMAPTHTTSMN1; SMN2KDM4E
SCHEMBL7302801 0.91 LMNA (0.43) LMNAMAPTHTTSMN1; SMN2KDM4E
SCHEMBL7310637 0.91 AGTR1 (0.57) AGTR1AGTR2PPARG
SCHEMBL7309046 0.90 AGTR1 (0.58) AGTR1AGTR2PPARG
SCHEMBL7309295 0.89 AGTR1 (0.42) LMNAMAPTHTTSMN1; SMN2KDM4E
SCHEMBL7311710 0.88 AGTR1 (0.42) AGTR1AGTR2PPARG
SCHEMBL9045043 0.87 PPARG (0.47) 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