SCHEMBL8905596

SCHEMBL8905596

CCCCc1nc2ccc(NC(=O)c3cc4ccccc4o3)cc2n1-c1cccc(-c2ccccc2C(=O)O)c1C

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
AGTR1 P30556 2/20 0.45
AGTR2 P50052 2/20 0.45

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
SCHEMBL8905587 0.85 MAPT (0.51) MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL8906803 0.85 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL8788819 0.81 AGTR1 (0.67) AGTR1AGTR2
SCHEMBL8905418 0.81 AGTR1 (0.48) AGTR1AGTR2
Trifluoroacetic Acid SCHEMBL8905363 0.78 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL8907829 0.77 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL8907028 0.77 AGTR1 (0.49) AGTR1AGTR2
Water SCHEMBL8907807 0.77 AGTR1 (0.48) AGTR1AGTR2
Trifluoroacetic Acid SCHEMBL8906988 0.77 AGTR2 (0.52) AGTR1AGTR2
SCHEMBL8906678 0.76 AGTR1 (0.49) 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
US-5684029-A HYPOTENSIVE AGENTS KARL THOMAE GMBH (DE) 1997-11-04 US disclosed