SCHEMBL1646907

SCHEMBL1646907

Cc1cc(C)nc(N2CCN(c3ccc(N)cc3C(=O)O)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 2/20 0.46
GFER P55789 2/20 0.46
KDM4E B2RXH2 1/20 0.46
THRB P10828 1/20 0.46
ALOX15 P16050 1/20 0.46
YWHAG P61981 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA4 P43681 1/20 0.46
HTT P42858 1/20 0.45
SHMT2 P34897 2/20 0.43
GAA P10253 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
GBA1 P04062 9/20 0.39
RBP4 P02753 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
SCHEMBL942659 0.82 MAPT (0.40) MEN1KMT2AMAPTGFERKDM4E
SCHEMBL943720 0.82 MAPT (0.56) MEN1KMT2AMAPTGFERKDM4E
SCHEMBL943333 0.81 MAPT (0.56) MEN1KMT2AMAPTGFERKDM4E
SCHEMBL9113476 0.77 KDM4E (0.58) MEN1KMT2AMAPTGFERKDM4E
SCHEMBL2336439 0.75 KDM4E (0.76) MEN1KMT2AMAPTGFERKDM4E
SCHEMBL9114319 0.75 GFER (0.56) MEN1KMT2AMAPTGFERKDM4E
SCHEMBL1020766 0.75 MAPT (0.38) MEN1KMT2AMAPTGFERKDM4E
SCHEMBL943023 0.74 MAPT (0.55) MEN1KMT2AMAPTGFERKDM4E
SCHEMBL11610621 0.74 HTT (0.77) MEN1KMT2AMAPTGFERKDM4E
SCHEMBL6254176 0.74 HTT (0.77) MEN1KMT2AMAPTGFERKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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