SCHEMBL6237221

SCHEMBL6237221

COC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.52
MAPK1 P28482 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PIK3CD O00329 1/20 0.49
PIK3CA P42336 1/20 0.49
PIK3CG P48736 1/20 0.49
KDM1A O60341 4/20 0.48
MAOB P27338 4/20 0.48
KMO O15229 2/20 0.48
MAOA P21397 3/20 0.48
HPGDS O60760 1/20 0.47
IDO1 P14902 1/20 0.47
SDHB P21912 1/20 0.46
SIRT5 Q9NXA8 1/20 0.46
LMNA P02545 1/20 0.46
FYN P06241 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL6236761 0.85 DHODH (0.52) DHODHL3MBTL1PIK3CDPIK3CAPIK3CG
SCHEMBL27702482 0.85 KMO (0.53) DHODHPIK3CDPIK3CAPIK3CGKDM1A
SCHEMBL6239029 0.85 BAZ2B (0.64) DHODHPIK3CDPIK3CAPIK3CGKDM1A
SCHEMBL2267893 0.84 LMNA (0.53) MAPK1L3MBTL1HPGDSIDO1LMNA
SCHEMBL6234378 0.83 HPGDS (0.68) DHODHPIK3CDPIK3CAPIK3CGKDM1A
SCHEMBL7824610 0.82 PDK2 (0.54) SDHB
SCHEMBL581753 0.82 KDM4E (0.55) PIK3CDPIK3CAPIK3CGKMOSDHB
SCHEMBL30772297 0.82 KDM4E (0.55) PIK3CDPIK3CAPIK3CGKMOSDHB
SCHEMBL21228142 0.81 HSD17B1 (0.56) MAPK1L3MBTL1KDM1AHPGDSFYN
SCHEMBL29597981 0.81 MAPK1 (0.50) MAPK1L3MBTL1KDM1AKMOHPGDS

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-2005005382-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2005-01-20 WO disclosed