SCHEMBL4317587

SCHEMBL4317587

COC(=O)c1cnccc1CCl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.54
ALDH1A1 P00352 5/20 0.54
GLA P06280 2/20 0.54
GAA P10253 2/20 0.54
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPK8 P45983 1/20 0.45
MAPK9 P45984 1/20 0.45
MAPK10 P53779 1/20 0.45
KMT2A Q03164 2/20 0.41
CYP46A1 Q9Y6A2 1/20 0.41
HSD17B10 Q99714 5/20 0.40
HPGD P15428 2/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 2/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
NCOA1 Q15788 1/20 0.39
RCE1 Q9Y256 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39

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
SCHEMBL23639428 0.87 ALDH1A1 (0.58) KDM4EALDH1A1GLAGAALMNA
SCHEMBL4074620 0.86 KDM4E (0.57) KDM4EALDH1A1GLAGAALMNA
SCHEMBL30465486 0.86 KDM4E (0.57) KDM4EALDH1A1GLAGAALMNA
SCHEMBL8545590 0.84 TSHR (0.47) ALDH1A1LMNAKMT2AHSD17B10TSHR
SCHEMBL17078728 0.83 ALDH1A1 (0.54) KDM4EALDH1A1GLAGAALMNA
SCHEMBL21358055 0.80 KDM4E (0.50) KDM4EALDH1A1GLAGAALMNA
SCHEMBL20399076 0.80 KDM4E (0.50) KDM4EALDH1A1GLAGAALMNA
SCHEMBL7509912 0.79 KDM4C (0.48) KDM4EALDH1A1GAAL3MBTL1KMT2A
SCHEMBL6491004 0.78 FTO (0.56) KDM4EALDH1A1GLAGAALMNA
SCHEMBL68952 0.78 KDM4E (0.70) KDM4EALDH1A1GLAGAALMNA

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-2009137739-A1 PROCESSES FOR THE PREPARATION OF O-[5-[4-AMINO-THIAZOL-2-YL]-PYRIDIN-2-YLMETHYL]-HYDROXYLAMINE ENANTA PHARMACEUTICALS, INC. (US) 2009-11-12 WO claimed