SCHEMBL8258271

SCHEMBL8258271

C=C(OC)c1cc(C(=O)O)nc2cc(O)nn12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 5/20 0.34
ALDH1A1 P00352 4/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 1/20 0.34
LCK P06239 1/20 0.32
TSHR P16473 2/20 0.32
MAPK1 P28482 2/20 0.32
MAPT P10636 1/20 0.32
CASP1 P29466 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
AURKA O14965 1/20 0.32
CSF1R P07333 1/20 0.32
RET P07949 1/20 0.32
LTK P29376 1/20 0.32
CSNK1A1 P48729 1/20 0.32
CDK8 P49336 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
SCHEMBL8253899 0.86 KDM4E (0.40) LMNATDP1KDM4EALDH1A1L3MBTL1
SCHEMBL8256657 0.74 HPGD (0.44) LMNATDP1ALDH1A1L3MBTL1HPGD
SCHEMBL8258266 0.73 LMNA (0.34) LMNATDP1KDM4EL3MBTL1TSHR
SCHEMBL8253920 0.73 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL8256633 0.71 KDM4E (0.40) LMNATDP1KDM4EALDH1A1L3MBTL1
SCHEMBL8191599 0.70 PIM1 (0.39) KDM4EALDH1A1HPGDHSD17B10LCK
SCHEMBL8253049 0.70 ALDH1A1 (0.52) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL8255673 0.69 MEN1 (0.33) LMNATDP1
SCHEMBL2273813 0.69 AURKA (0.49) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL8256619 0.69 AURKA (0.46) KDM4EALDH1A1L3MBTL1HPGDHSD17B10

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-2006128184-A2 PYRIMIDINE OR TRIAZINE FUSED BICYCLIC METALLOPROTEASE INHIBITORS ALANTOS-PHARMACEUTICALS, INC. (US) 2006-11-30 WO disclosed