SCHEMBL7631374

SCHEMBL7631374

N#Cc1ccc2cc1Oc1ccc3cccc(c3c1)C(=O)NCC(=O)NCc1cncn1C2

nearest known ligand 0.83

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FNTA P49354 20/20 0.83
PGGT1B P53609 20/20 0.83
FNTB P49356 19/20 0.83
KCNH2 Q12809 4/20 0.62
CYP3A4 P08684 1/20 0.62
DNAJA1 P31689 1/20 0.62

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
Hydrochloric Acid SCHEMBL7637950 0.99 FNTA (0.81) FNTAPGGT1BFNTBKCNH2CYP3A4
SCHEMBL7635537 0.91 FNTA (1.00) FNTAPGGT1BFNTBKCNH2CYP3A4
Hydrochloric Acid SCHEMBL7632509 0.82 FNTA (0.98) FNTAPGGT1BFNTB
SCHEMBL7186917 0.80 FNTA (0.72) FNTAPGGT1BFNTBKCNH2CYP3A4
SCHEMBL7175366 0.79 FNTA (0.73) FNTAPGGT1BFNTBKCNH2CYP3A4
Hydrochloric Acid SCHEMBL7630533 0.79 FNTA (0.98) FNTAPGGT1BFNTBKCNH2CYP3A4
SCHEMBL7630518 0.78 FNTA (1.00) FNTAPGGT1BFNTB
SCHEMBL7632500 0.78 FNTA (1.00) FNTAPGGT1BFNTBKCNH2CYP3A4
SCHEMBL7626894 0.78 FNTA (1.00) FNTAPGGT1BFNTBKCNH2CYP3A4
SCHEMBL7637486 0.77 FNTA (1.00) FNTAPGGT1BFNTBKCNH2CYP3A4

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-6410534-B1 ANTICANCER AGENTS MERCK & CO., INC. 2002-06-25 US disclosed