SCHEMBL4975269

SCHEMBL4975269

Nc1cc(C(=O)Nc2nc(C(F)(F)F)cs2)ccc1Sc1ccc(NC(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 3/20 0.47
KDM4E B2RXH2 7/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GRM5 P41594 1/20 0.41
MAPT P10636 7/20 0.40
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.40
MPL P40238 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38

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
SCHEMBL1455419 0.81 EPHX2 (0.40) GCKKDM4EALDH1A1HPGDKMT2A
SCHEMBL16318533 0.80 GCK (0.52) GCKKDM4EALDH1A1HPGDMEN1
SCHEMBL4973595 0.78 RAB9A (0.50) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL4977002 0.77 PTGS1 (0.56) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL4982491 0.77 KDM4E (0.54) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL4976896 0.72 MAPT (0.52) KDM4EALDH1A1HPGDKMT2ANPC1
SCHEMBL4975567 0.72 MAPT (0.47) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL13055750 0.71 NPC1 (0.52) GCKKDM4EALDH1A1HPGDMEN1
SCHEMBL1968036 0.71 NPC1 (0.62) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL3610148 0.71 FFAR2 (0.51) KDM4EALDH1A1HPGDMEN1KMT2A

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-1979348-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
WO-2007076034-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 WO disclosed