SCHEMBL10039032

SCHEMBL10039032

Nc1ccc2c(c1)CN(S(=O)(=O)c1cccs1)[C@H](Cc1ccccc1)CN2Cc1cnc[nH]1

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 19/20 0.80
▸ FNTB P49356 19/20 0.80
▸ HRAS P01112 1/20 0.80
▸ KRAS P01116 1/20 0.80
▸ PGGT1B P53609 1/20 0.80

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
SCHEMBL17547679 0.91 FNTA (0.80) FNTAFNTBHRASKRASPGGT1B
SCHEMBL29171478 0.90 FNTA (0.79) FNTAFNTBHRASKRASPGGT1B
Bms-214662 SCHEMBL16499911 0.89 FNTA (1.00) FNTAFNTBHRASKRASPGGT1B
Bms-214662 SCHEMBL94663 0.89 FNTA (1.00) FNTAFNTBHRASKRASPGGT1B
Bms-214662 SCHEMBL30498791 0.88 FNTA (0.99) FNTAFNTBHRASKRASPGGT1B
SCHEMBL13186538 0.85 FNTA (0.58) FNTAFNTBHRASKRASPGGT1B
SCHEMBL22050803 0.81 FNTA (0.86) FNTAFNTBHRASKRASPGGT1B
SCHEMBL13300962 0.77 FNTA (0.80) FNTAFNTBHRASKRASPGGT1B
SCHEMBL12193488 0.76 FNTA (0.65) FNTAFNTBHRASKRASPGGT1B
SCHEMBL7665888 0.75 FNTA (0.77) FNTAFNTBHRASKRASPGGT1B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012054724-A1 METHODS OF TREATING SEIZURE DISORDERS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-04-26 — — WO disclosed
WO-2009105500-A1 COMPOUNDS THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2009-08-27 — — WO disclosed
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