SCHEMBL4941671

SCHEMBL4941671

Nc1cc(N)c(C=O)cc1O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.39
TRIM24 O15164 2/20 0.39
TRIM33 Q9UPN9 2/20 0.39
ERN1 O75460 8/20 0.39
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TYR P14679 2/20 0.35

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
SCHEMBL22302452 0.86 ERN1 (0.43) PIM1TRIM24TRIM33ERN1TYR
SCHEMBL8024078 0.82 PTK2 (0.41) TRIM24TRIM33ERN1KDM4EMEN1
SCHEMBL12336815 0.81 ERN1 (0.43) TRIM24TRIM33ERN1KDM4EMEN1
SCHEMBL16649287 0.80 ERN1 (0.44) PIM1TRIM24TRIM33ERN1
SCHEMBL14695048 0.79 PTK2 (0.47) ERN1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL8024070 0.79 TDP1 (0.40) TRIM24TRIM33ERN1KDM4EMEN1
SCHEMBL29957578 0.76 ALDH1A1 (0.52) TRIM24TRIM33ERN1KDM4EALDH1A1
SCHEMBL27614940 0.76 ALDH1A1 (0.52) TRIM24TRIM33ERN1KDM4EALDH1A1
SCHEMBL4289408 0.73 ERN1 (0.54) PIM1TRIM24TRIM33ERN1TYR
SCHEMBL28992032 0.73 TRIM24 (0.50) PIM1TRIM24TRIM33ERN1KDM4E

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-2012051659-A1 VIRAL POLYMERASE INHIBITORS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2012-04-26 WO disclosed