SCHEMBL3980996

SCHEMBL3980996

COC(=O)COc1ccc(F)c2cnc(Cc3ccc(Cl)cc3)nc12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.39
PTGDR Q13258 1/20 0.39
PTGS2 P35354 1/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 1/20 0.37
SYK P43405 1/20 0.36
MAPK1 P28482 2/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
PKM P14618 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL3983651 0.89 PTGDR2 (0.43) PTGDR2MAPTTSHRTDP1
SCHEMBL3980812 0.85 ALDH1A1 (0.44) MAPTLMNAALDH1A1KDM4EKMT2A
SCHEMBL3985579 0.82 LMNA (0.44) PTGDR2PTGDRPTGS2MAPTLMNA
SCHEMBL3981435 0.77 PKM (0.46) PTGDR2PTGDRPTGS2MAPTLMNA
SCHEMBL3983803 0.76 HTR2C (0.41) MAPTKDM4EKMT2AMAPK1L3MBTL1
SCHEMBL3989567 0.74 LMNA (0.41) PTGDR2PTGDRPTGS2MAPTLMNA
SCHEMBL3985878 0.71 PTGDR (0.51) PTGDR2PTGDRPTGS2MAPTLMNA
SCHEMBL3982744 0.70 TDP1 (0.44) PTGDR2MAPTLMNAALDH1A1KDM4E
SCHEMBL3778420 0.70 KDM4E (0.43) PTGDR2PTGDRPTGS2MAPTLMNA
SCHEMBL3783447 0.70 PTGDR2 (0.43) PTGDR2PTGDRPTGS2

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-2009060209-A1 6,6-FUSED BICYCLIC AROMATIC COMPOUNDS AND THEIR THERAPEUTI USE ARGENTA DISCOVERY LIMITED (GB) 2009-05-14 WO disclosed