SCHEMBL1128905

SCHEMBL1128905

CC(C)(F)c1ccc2nc(Cl)[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
HSD17B10 Q99714 1/20 0.50
SCN10A Q9Y5Y9 5/20 0.46
KCNH2 Q12809 3/20 0.46
NPBWR1 P48145 4/20 0.46
DGAT1 O75907 2/20 0.42
TRPV1 Q8NER1 2/20 0.41
ALDH1A1 P00352 1/20 0.41
DYRK1A Q13627 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
METAP2 P50579 1/20 0.40
CBFB Q13951 1/20 0.40

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
SCHEMBL6031395 0.87 MAPT (0.36) GAAMAPTHSD17B10SCN10AKCNH2
SCHEMBL2418844 0.86 SCN10A (0.61) SCN10AKCNH2TRPV1DYRK1AMETAP2
SCHEMBL1311258 0.86 NPBWR1 (0.58) SCN10AKCNH2NPBWR1DGAT1DYRK1A
SCHEMBL9303891 0.80 SCN10A (0.43) GAAMAPTHSD17B10SCN10AKCNH2
SCHEMBL827359 0.73 KMT2A (0.58) GAAMAPTHSD17B10ALDH1A1METAP2
SCHEMBL1747975 0.73 ALPL (0.56) ALDH1A1METAP2CBFB
SCHEMBL666767 0.72 NPBWR1 (0.43) KCNH2NPBWR1DGAT1DYRK1ADYRK1B
SCHEMBL5015652 0.72 SCN10A (0.45) SCN10AKCNH2TRPV1DYRK1AMETAP2
SCHEMBL1748354 0.72 ALDH1A1 (0.66) MAPTHSD17B10ALDH1A1METAP2CBFB
SCHEMBL32674484 0.72 RUNX1 (0.56) GAAHSD17B10SCN10ATRPV1CBFB

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
EP-2282762-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2011-02-16 EP disclosed
WO-2009142842-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-11-26 WO disclosed