SCHEMBL1644351

SCHEMBL1644351

NC(=O)Cc1c(-c2ccccc2)cc2ccccn12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.55
THRB P10828 1/20 0.55
MAPT P10636 6/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.52
HTT P42858 3/20 0.52
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 1/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TRPV1 Q8NER1 1/20 0.40
LMNA P02545 2/20 0.40
PTGS2 P35354 1/20 0.39
PLA2G1B P04054 3/20 0.39
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL1645322 0.78 SMN1; SMN2 (0.68) L3MBTL1THRBMAPTNPC1RAB9A
SCHEMBL8205262 0.76 MAPT (0.57) L3MBTL1THRBMAPTNPC1RAB9A
SCHEMBL8204958 0.75 MAPT (0.55) L3MBTL1THRBMAPTNPC1RAB9A
SCHEMBL11078300 0.74 THRB (0.50) L3MBTL1THRBMAPTNPC1RAB9A
SCHEMBL11082349 0.74 SMN1; SMN2 (0.68) L3MBTL1THRBMAPTNPC1RAB9A
SCHEMBL11074803 0.72 SMN1; SMN2 (0.58) L3MBTL1THRBMAPTNPC1RAB9A
SCHEMBL27836749 0.72 SMN1; SMN2 (0.68) L3MBTL1THRBMAPTNPC1RAB9A
SCHEMBL27836751 0.72 SMN1; SMN2 (0.68) L3MBTL1THRBMAPTNPC1RAB9A
SCHEMBL1645731 0.72 SMN1; SMN2 (0.68) L3MBTL1THRBMAPTNPC1RAB9A
SCHEMBL11075577 0.71 L3MBTL1 (0.60) L3MBTL1THRBMAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2303329-A1 ANTIFUNGAL COMBINATION THERAPY F2G Limited (GB) 2011-04-06 EP claimed
WO-2009144473-A1 ANTIFUNGAL COMBINATION THERAPY F2G LIMITED (GB) 2009-12-03 WO claimed
EP-1888063-B1 ANTIFUNGAL AGENTS F2G LTD (GB) 2009-01-14 EP claimed
EP-2303329-A1 ANTIFUNGAL COMBINATION THERAPY F2G Limited (GB) 2011-04-06 EP disclosed
WO-2009144473-A1 ANTIFUNGAL COMBINATION THERAPY F2G LIMITED (GB) 2009-12-03 WO disclosed
EP-2097413-A1 2-[(2-SUBSTITUTED)-IND0LIZIN-3-YL]-2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G Limited (GB) 2009-09-09 EP disclosed
WO-2008062182-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD (GB) 2008-05-29 WO disclosed