SCHEMBL5747360

SCHEMBL5747360

N#Cc1cc2cc3ccccc3cc2cc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.52
ALDH1A1 P00352 4/20 0.52
GAA P10253 2/20 0.52
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CYP3A4 P08684 3/20 0.45
HSD17B10 Q99714 2/20 0.45
CASP1 P29466 2/20 0.45
CASP7 P55210 2/20 0.45
ALOX15 P16050 1/20 0.45
HBB P68871 1/20 0.45
HIF1A Q16665 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 3/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL5008816 0.96 KDM4E (0.55) KDM4EALDH1A1GAACA1CA2
SCHEMBL21480748 0.87 KDM4E (0.39) KDM4EALDH1A1GAACA1CA2
SCHEMBL769641 0.84 CA1 (0.59) KDM4EALDH1A1GAACA1CA2
SCHEMBL31251446 0.84 CA1 (0.59) KDM4EALDH1A1GAACA1CA2
SCHEMBL9804790 0.84 CA1 (0.59) KDM4EALDH1A1GAACA1CA2
SCHEMBL28525051 0.80 KDM4E (0.41) KDM4EALDH1A1GAACA1CA2
SCHEMBL29553645 0.80 KDM4E (0.41) KDM4EALDH1A1GAACA1CA2
SCHEMBL29489128 0.79 CA1 (0.64) KDM4EALDH1A1GAACA1CA2
SCHEMBL149126 0.79 CA1 (0.64) KDM4EALDH1A1GAACA1CA2
SCHEMBL31588139 0.77 ALDH1A1 (0.42) KDM4EALDH1A1GAACA1CA2

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
US-20060293503-A1 Polyaminopyridines and method for producing same SUMITOMO SEIKA CHEMICALS CO., LTD (JP) 2006-12-28 US disclosed
EP-1669390-A1 POLYAMINOPYRIDINES AND METHOD FOR PRODUCING SAME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2006-06-14 EP disclosed