SCHEMBL4327152

SCHEMBL4327152

Cc1cc(C)c(C#N)c(Br)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.60
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
LMNA P02545 2/20 0.51
ALDH1A1 P00352 7/20 0.50
RECQL P46063 3/20 0.50
HPGD P15428 3/20 0.50
HSD17B10 Q99714 2/20 0.50
CYP1A2 P05177 3/20 0.47
CYP2C19 P33261 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 3/20 0.46
MAPK1 P28482 2/20 0.46
POLB P06746 2/20 0.46
KHK P50053 1/20 0.46
RAB9A P51151 1/20 0.45
CYP3A4 P08684 2/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL3825621 0.83 RECQL (0.46) KDM4EMEN1KMT2ALMNAALDH1A1
SCHEMBL13979608 0.80 KDM4E (0.43) KDM4EMEN1KMT2ALMNAALDH1A1
SCHEMBL3832490 0.80 KDM4E (0.43) KDM4EMEN1KMT2ALMNAALDH1A1
SCHEMBL4066614 0.78 KDM4E (0.64) KDM4EMEN1KMT2ALMNAALDH1A1
SCHEMBL30720101 0.76 L3MBTL1 (0.54) KDM4EMEN1KMT2ALMNAALDH1A1
SCHEMBL317616 0.75 KDM4E (1.00) KDM4EMEN1KMT2AALDH1A1RECQL
SCHEMBL2673578 0.75 KDM4E (0.60) KDM4EMEN1KMT2ALMNAALDH1A1
SCHEMBL10288069 0.75 KDM4E (0.60) KDM4EMEN1KMT2ALMNAALDH1A1
SCHEMBL318407 0.75 KDM4E (0.60) KDM4EMEN1KMT2ALMNAALDH1A1
SCHEMBL3985050 0.75 KDM4E (0.60) KDM4EMEN1KMT2ALMNAALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009144253-A1 COMPOUNDS COMPRISING A 3-PYRIDINOL OR 5-PYRIMIDINOL RING HAVING AN ORGANOSELENO OR ORGANOTELLURO SUBSTITUENT FOR USE AS ANTIOXIDANTS KAROLINSKA INSTITUTET INNOVATIONS AB (SE) 2009-12-03 WO disclosed
WO-2009144253-A1 COMPOUNDS COMPRISING A 3-PYRIDINOL OR 5-PYRIMIDINOL RING HAVING AN ORGANOSELENO OR ORGANOTELLURO SUBSTITUENT FOR USE AS ANTIOXIDANTS KAROLINSKA INSTITUTET INNOVATIONS AB (SE) 2009-12-03 WO disclosed