SCHEMBL4032912

SCHEMBL4032912

Cn1c(-c2ccco2)nc(OC(=O)O)c(O)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
HIF1A Q16665 1/20 0.44
ALDH1A1 P00352 9/20 0.41
TSHR P16473 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL4030138 0.81 ERCC1 (0.57) LMNAHIF1AALDH1A1TSHRMEN1
SCHEMBL4032043 0.75 ERCC1 (0.67) LMNAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4032344 0.75 COMT (0.42) LMNAALDH1A1MEN1KMT2ATDP1
SCHEMBL4027881 0.72 ERCC1 (0.40) ALDH1A1KDM4EHPGDHSD17B10ADORA3
SCHEMBL4029257 0.71 FEN1 (0.44) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL4027681 0.71 ERCC1 (0.41) ALDH1A1KMT2ATDP1RAB9ANPC1
SCHEMBL4028118 0.70 ERCC1 (0.40) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL4031571 0.69 ERCC1 (0.40) ALDH1A1MAPTHPGD
SCHEMBL4028019 0.68 FEN1 (0.39) ALOX15HSD17B10MAPK1
SCHEMBL4026147 0.68 FEN1 (0.39) LMNAALDH1A1TSHRSMN1; SMN2KDM4E

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
EP-1470113-B1 PYRIMIDINONE VIRAL POLYMERASE INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2009-01-07 EP claimed