SCHEMBL9921327

SCHEMBL9921327

Fc1ccc(CCNc2ncnc3ncc(F)cc23)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 6/20 0.46
▸ AURKA O14965 2/20 0.41
▸ AURKB Q96GD4 2/20 0.41
▸ RPS6KB1 P23443 1/20 0.41
▸ USP10 Q14694 1/20 0.40
▸ PIK3C3 Q8NEB9 1/20 0.40
▸ USP13 Q92995 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ SLC29A1 Q99808 1/20 0.36
▸ F2 P00734 1/20 0.36
▸ PRSS1 P07477 1/20 0.36
▸ PRSS2 P07478 1/20 0.36

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
SCHEMBL13171087 0.89 HTT (0.39) HTTHDAC1HDAC8HDAC6MAPT
SCHEMBL9921329 0.87 HTT (0.38) HTTAURKAAURKBMAPTPOLB
SCHEMBL9921375 0.83 HTT (0.65) HTTAURKAAURKBRPS6KB1USP10
SCHEMBL9921326 0.82 HTT (0.44) HTTAURKAMEN1KMT2AMAPT
SCHEMBL13171094 0.80 GALR3 (0.38) HTTMEN1KMT2AMAPTPOLB
SCHEMBL22714182 0.80 HTT (0.40) HTTUSP10PIK3C3USP13MEN1
SCHEMBL9921323 0.78 HTT (0.52) HTTMEN1KMT2AMAPTPOLB
SCHEMBL9921335 0.78 HTT (0.60) HTTMEN1KMT2AMAPTSLC29A1
SCHEMBL9921325 0.78 HTT (0.55) HTTUSP10PIK3C3USP13MEN1
SCHEMBL9921415 0.77 MAPT (0.59) HTTAURKARPS6KB1MEN1KMT2A

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-2012079079-A1 PRODUCTION OF INDUCED PLURIPOTENT STEM CELLS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-06-14 — — WO disclosed
WO-2011011522-A2 POTENT SMALL MOLECULE INHIBITORS OF AUTOPHAGY, AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-01-27 — — WO disclosed
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