SCHEMBL2880218

SCHEMBL2880218

COc1c(N2CC3CNCC3C2)c(F)cc2c(=O)c3c(O)c(C#N)sc3n(C3CC3)c12

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 4/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KCNH2 Q12809 3/20 0.39
POLB P06746 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
PRKD3 O94806 1/20 0.39
ALOX15 P16050 1/20 0.39
OPRM1 P35372 1/20 0.39
CLK2 P49760 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
LMNA P02545 2/20 0.34
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL2676884 1.00 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL537020 0.91 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL2674468 0.89 KCNH2 (0.43) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL2674752 0.88 KDM4E (0.57) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL2676038 0.87 KCNH2 (0.43) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL2872776 0.87 KCNH2 (0.43) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL537076 0.86 KCNH2 (0.39) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL2878364 0.85 TOP1 (0.45) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL2677104 0.85 TOP1 (0.45) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL537467 0.85 KCNH2 (0.41) KDM4EALDH1A1HPGDHSD17B10KCNH2

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-2010115184-A2 HYDROXYTHIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2010-10-07 WO claimed