SCHEMBL13375019

SCHEMBL13375019

Nc1c[nH]nc1-c1nc2cc(CO)ccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 6/20 0.43
ATR Q13535 1/20 0.35
NT5E P21589 1/20 0.35
ILK Q13418 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
HSD17B10 Q99714 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
CHEK1 O14757 1/20 0.32
TYMS P04818 1/20 0.32
PARP1 P09874 1/20 0.32
PDPK1 O15530 1/20 0.32
USP2 O75604 1/20 0.32

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
SCHEMBL13375186 0.90 FGFR1 (0.39) CBFBATRNT5EALDH1A1HPGD
SCHEMBL6283876 0.88 NT5E (0.35) CBFBNT5EALDH1A1HPGDSMN1; SMN2
SCHEMBL12027128 0.88 PKM (0.38) CBFBNT5EALDH1A1HPGDSMN1; SMN2
SCHEMBL13375193 0.80 CHEK1 (0.38) ATRALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL13375032 0.80 CBFB (0.40) CBFBALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL10240066 0.80 FGFR1 (0.41) ILKALDH1A1HPGDHSD17B10KDM4E
SCHEMBL28500913 0.80 RAB9A (0.45) CBFBATRALDH1A1HPGDSMN1; SMN2
SCHEMBL30061152 0.80 SMN1; SMN2 (0.38) CBFBALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL30061331 0.80 RAB9A (0.45) CBFBATRALDH1A1HPGDSMN1; SMN2
SCHEMBL28498751 0.80 SMN1; SMN2 (0.38) CBFBALDH1A1HPGDSMN1; SMN2HSD17B10

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
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed