SCHEMBL4746341

SCHEMBL4746341

Cc1nn(-c2ccccn2)c(O)c1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
HPGD P15428 3/20 0.48
HSD17B10 Q99714 2/20 0.48
ALOX15 P16050 1/20 0.48
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
THRB P10828 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 3/20 0.46
SLC11A2 P49281 1/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
CCNA2 P20248 8/20 0.44
CDK2 P24941 8/20 0.44
HTT P42858 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TP53 P04637 1/20 0.43
CCNO P22674 1/20 0.43
CCNE1 P24864 1/20 0.43
CCNA1 P78396 1/20 0.43

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
SCHEMBL3682387 0.89 SLC11A2 (0.51) ALDH1A1HPGDHSD17B10ALOX15MAPT
SCHEMBL3692788 0.89 MAPT (0.48) ALDH1A1HPGDHSD17B10ALOX15MAPT
SCHEMBL3683062 0.88 MAPT (0.52) ALDH1A1HPGDHSD17B10ALOX15MAPT
SCHEMBL3683176 0.86 SLC11A2 (0.53) ALDH1A1HPGDHSD17B10ALOX15MAPT
SCHEMBL3689323 0.86 FFAR4 (0.45) ALDH1A1HPGDHSD17B10ALOX15MAPT
SCHEMBL4745571 0.85 SLC11A2 (0.54) ALDH1A1HPGDHSD17B10ALOX15MAPT
SCHEMBL3681849 0.85 SLC11A2 (0.54) ALDH1A1HPGDHSD17B10ALOX15MAPT
SCHEMBL3693578 0.84 NPC1 (0.47) ALDH1A1HPGDMAPTSMN1; SMN2TDP1
SCHEMBL3683672 0.84 ALDH1A1 (0.50) ALDH1A1HPGDHSD17B10ALOX15MAPT
SCHEMBL3683412 0.84 MAPT (0.45) ALDH1A1HPGDHSD17B10ALOX15MAPT

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
WO-2008121861-A2 PYRAZOLE AND PYRROLE COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-10-09 WO disclosed