SCHEMBL3984739

SCHEMBL3984739

COc1ccc(Cl)c2cc(OS(C)(=O)=O)c(Cc3ccc(Cl)cc3)nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.38
MAPK1 P28482 3/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
USP2 O75604 3/20 0.37
MAPT P10636 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
PDE10A Q9Y233 4/20 0.36
PDE3B Q13370 3/20 0.36
PDE3A Q14432 3/20 0.36
CYP3A4 P08684 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HIF1A Q16665 2/20 0.36
PDE5A O76074 2/20 0.36
PDE2A O00408 1/20 0.36

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
SCHEMBL3989921 0.82 LMNA (0.41) LMNAMAPK1TSHRMEN1KMT2A
SCHEMBL3984323 0.81 LMNA (0.43) LMNAMAPK1TSHRMEN1KMT2A
SCHEMBL3983824 0.76 LMNA (0.38) LMNAMAPK1TSHRMEN1KMT2A
SCHEMBL3989902 0.69 MAPK1 (0.43) LMNAMAPK1TSHRMEN1KMT2A
SCHEMBL3989567 0.68 LMNA (0.41) LMNAMAPK1TSHRKMT2AL3MBTL1
SCHEMBL3985312 0.67 TDP1 (0.47) TSHRALDH1A1KDM4EHPGDMAPT
SCHEMBL3981251 0.67 P2RX3 (0.40) LMNAMAPK1TSHRMEN1KMT2A
SCHEMBL14919774 0.66 PDE4D (0.38) LMNAMAPK1TSHRMEN1KMT2A
SCHEMBL3985878 0.66 PTGDR (0.51) LMNATSHRKMT2AALDH1A1KDM4E
SCHEMBL3981440 0.65 MEN1 (0.38) MEN1KMT2AHPGDMAPTPDE3B

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