SCHEMBL3267436

SCHEMBL3267436

[c]1nncc(-c2cccnn2)n1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GOT1 P17174 1/20 0.31
GRM5 P41594 1/20 0.30

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
SCHEMBL11634765 0.78
SCHEMBL17416664 0.77
SCHEMBL869236 0.77 GOT1 (0.39) KDM4ENPC1ALDH1A1LMNATP53
SCHEMBL30176742 0.77 GOT1 (0.39) KDM4ENPC1ALDH1A1LMNATP53
SCHEMBL29442588 0.76 GOT1 (0.46) KDM4ENPC1ALDH1A1LMNATP53
SCHEMBL30792004 0.76 GOT1 (0.46) KDM4ENPC1ALDH1A1LMNATP53
SCHEMBL1456807 0.76 GOT1 (0.46) KDM4ENPC1ALDH1A1LMNATP53
SCHEMBL1964909 0.74 GOT1 (0.32) KDM4ENPC1ALDH1A1LMNATP53
SCHEMBL27942235 0.69 GABRA1 (0.41) NPC1ALDH1A1TP53PKMHPGD
SCHEMBL3749780 0.68 KDM4E (0.48) KDM4ENPC1ALDH1A1LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546133-B1 N-SUBSTITUTED-2-OXODIHYDROPYRIDINE DERIVATIVES AS NPY ANTAGONISTS BANYU PHARMA CO LTD (JP) 2010-03-17 EP claimed