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Sugi Predict / Compounds / SCHEMBL7707858

SCHEMBL7707858

SCHEMBL7707858

CC(O)(c1ccc(C#N)c(F)c1)c1cncn1CC(=O)NCCc1ccccc1-c1cccc(O)c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 1/20 0.36
▸ FNTA P49354 9/20 0.33
▸ FNTB P49356 9/20 0.33
▸ PGGT1B P53609 8/20 0.33
▸ CACNA1H O95180 3/20 0.33
▸ SLC22A12 Q96S37 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ TRPA1 O75762 1/20 0.31
▸ ENPP2 Q13822 1/20 0.31

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
SCHEMBL7710770 0.75 AR (0.39) FNTAFNTBPGGT1BCACNA1HSLC22A12
SCHEMBL7704750 0.74 S1PR3 (0.39) FNTAFNTBPGGT1BCACNA1HSLC22A12
SCHEMBL7710761 0.71 FNTA (0.42) FNTAFNTBPGGT1BCYP19A1
SCHEMBL7713147 0.70 FNTA (0.41) FNTAFNTBPGGT1BCACNA1H
SCHEMBL7714014 0.69 FNTA (0.41) FNTAFNTBPGGT1B
SCHEMBL7714018 0.69 FNTA (0.41) FNTAFNTBPGGT1B
SCHEMBL7714011 0.69 FNTA (0.41) FNTAFNTBPGGT1B
SCHEMBL7710615 0.67 FNTA (0.49) FNTAFNTBPGGT1BCYP19A1
SCHEMBL7672909 0.66 CYP17A1 (0.48) FNTAFNTBPGGT1B
SCHEMBL7241410 0.66 FNTA (0.42) FNTAFNTBPGGT1BCACNA1H

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-6358985-B1 ANTICANCER AGENT MERCK & CO., INC. 2002-03-19 — — US disclosed