SCHEMBL1667649

SCHEMBL1667649

COc1ccc(-n2cc(C#N)c3cnccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
KDM1A O60341 2/20 0.47
ELANE P08246 2/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
ESRRA P11474 1/20 0.43
ESR2 Q92731 1/20 0.43
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL1078113 0.81 L3MBTL1 (0.53) L3MBTL1KDM1AMAPTESRRAESR2
SCHEMBL10095240 0.78 L3MBTL1 (0.53) L3MBTL1ESRRAESR2
SCHEMBL10095319 0.75 L3MBTL1 (0.50) L3MBTL1KDM1AESRRAESR2
SCHEMBL2285430 0.75 L3MBTL1 (0.50) L3MBTL1ALDH1A1ESRRAESR2KDM4E
SCHEMBL14466214 0.75 L3MBTL1 (0.50) L3MBTL1
SCHEMBL23887014 0.74 KDM4E (0.52) ALDH1A1KDM4E
SCHEMBL980952 0.74 MAPT (0.53) L3MBTL1KDM1AALDH1A1MAPTESRRA
SCHEMBL10095338 0.74 MEN1 (0.49) L3MBTL1ESRRAESR2
SCHEMBL10095341 0.74 ESRRA (0.51) L3MBTL1ESRRAESR2
SCHEMBL30176395 0.74 KDM4E (0.52) ALDH1A1KDM4E

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-2011042474-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-04-14 WO disclosed
WO-2011042474-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-04-14 WO disclosed