SCHEMBL9704840

SCHEMBL9704840

CCCCc1nc2cc(N3CCN(Cc4ccccc4)C3=O)c(C)nc2n1Cc1ccc(-c2ccccc2OC(=O)OC(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.43
AGTR2 P50052 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL9705244 0.96 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9705198 0.92 PPARG (0.41)
SCHEMBL9703974 0.92 KDM4E (0.46) AGTR1AGTR2KDM4EALDH1A1LMNA
SCHEMBL9704516 0.90 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9705284 0.89 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL9704715 0.88 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9705918 0.87 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9705973 0.87 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9704093 0.87 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9704128 0.86 KDM4E (0.55) AGTR1AGTR2KDM4EALDH1A1LMNA

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-0470543-A1 Heterocyclic imidazoles, remedies containing them and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-02-12 EP disclosed