SCHEMBL9703974

SCHEMBL9703974

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

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 2/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
AGTR1 P30556 1/20 0.45
AGTR2 P50052 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
Trifluoroacetic Acid SCHEMBL9705913 0.92 KDM4E (0.41) KDM4EALDH1A1LMNAHPGDMAPT
SCHEMBL9704840 0.92 AGTR1 (0.43) KDM4EALDH1A1LMNAHPGDMAPT
SCHEMBL9704627 0.91 PPARG (0.43)
SCHEMBL9705809 0.88 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL9704777 0.88 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9705244 0.88 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9705017 0.87 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9703953 0.86 AGTR2 (0.49) AGTR1AGTR2
SCHEMBL9704895 0.86 KDM4E (0.59) KDM4EALDH1A1LMNAHPGDMAPT
SCHEMBL9704422 0.85 AGTR2 (0.44) AGTR1AGTR2

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