SCHEMBL6283876

SCHEMBL6283876

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.35
ALDH1A1 P00352 8/20 0.33
SMN1; SMN2 Q16637 8/20 0.33
HPGD P15428 7/20 0.33
MAPT P10636 6/20 0.33
KDM4E B2RXH2 6/20 0.33
NPC1 O15118 6/20 0.33
RAB9A P51151 6/20 0.33
HSD17B10 Q99714 4/20 0.33
GAA P10253 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
GLA P06280 1/20 0.33
USP2 O75604 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
PDPK1 O15530 1/20 0.33
PKM P14618 2/20 0.32
NFKB1 P19838 2/20 0.32
NFKB2 Q00653 2/20 0.32
RELA Q04206 2/20 0.32
FGFR1 P11362 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
SCHEMBL12027128 0.89 PKM (0.38) NT5EALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL13375019 0.88 CBFB (0.43) NT5EALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL13375186 0.86 FGFR1 (0.39) NT5EALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL5951395 0.83 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2HPGDMAPTKDM4E
SCHEMBL10240066 0.81 FGFR1 (0.41) ALDH1A1HPGDKDM4EHSD17B10FGFR1
SCHEMBL30061152 0.81 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2HPGDMAPTKDM4E
SCHEMBL30061331 0.81 RAB9A (0.45) ALDH1A1SMN1; SMN2HPGDMAPTKDM4E
SCHEMBL28500913 0.81 RAB9A (0.45) ALDH1A1SMN1; SMN2HPGDMAPTKDM4E
SCHEMBL28498751 0.81 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2HPGDMAPTKDM4E
SCHEMBL28498762 0.79 FGFR1 (0.54) FGFR1FLT1LMNA

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-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed