SCHEMBL18826385

SCHEMBL18826385

COc1ccc(C2CC(c3ccccc3OC)=NN2c2ccc(S(N)(=O)=O)cc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 11/20 0.80
▸ PDE5A O76074 2/20 0.76
▸ KDM4E B2RXH2 2/20 0.76
▸ ALDH1A1 P00352 2/20 0.76
▸ GAA P10253 2/20 0.76
▸ MAPT P10636 2/20 0.76
▸ GLA P06280 1/20 0.76
▸ CDC42 P60953 1/20 0.76
▸ ATM Q13315 1/20 0.76
▸ NPSR1 Q6W5P4 1/20 0.76
▸ CA1 P00915 5/20 0.73
▸ CA2 P00918 5/20 0.73
▸ PTGS2 P35354 3/20 0.68
▸ CA12 O43570 1/20 0.67
▸ CA9 Q16790 1/20 0.67
▸ MMP2 P08253 1/20 0.67
▸ MMP9 P14780 1/20 0.67
▸ ACHE P22303 1/20 0.63
▸ KMT2A Q03164 1/20 0.63

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
SCHEMBL12494043 0.86 L3MBTL1 (1.00) L3MBTL1PDE5AKDM4EALDH1A1GAA
SCHEMBL18827569 0.85 PTGS2 (0.92) L3MBTL1PDE5AKDM4EALDH1A1GAA
SCHEMBL15197341 0.84 CA1 (1.00) L3MBTL1PDE5AKDM4EALDH1A1GAA
SCHEMBL12495092 0.82 PDE5A (1.00) L3MBTL1PDE5AGLAATMPTGS2
SCHEMBL18826382 0.82 L3MBTL1 (0.84) L3MBTL1PDE5AKDM4EALDH1A1GAA
SCHEMBL15197347 0.81 CA1 (1.00) L3MBTL1PDE5AKDM4EALDH1A1GAA
SCHEMBL18826387 0.81 CA2 (1.00) L3MBTL1PDE5AKDM4EALDH1A1GAA
SCHEMBL5564567 0.80 L3MBTL1 (1.00) L3MBTL1PDE5AKDM4EALDH1A1GAA
SCHEMBL15197345 0.79 CA2 (1.00) L3MBTL1PDE5AKDM4EALDH1A1GAA
SCHEMBL18826391 0.79 L3MBTL1 (0.76) L3MBTL1PDE5AKDM4EALDH1A1GAA

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
US-9642835-B2 Modulators of GTPase and use in relevant treatment STC.UNM (US) 2017-05-09 — — US disclosed
US-9642835-B2 Modulators of GTPase and use in relevant treatment STC.UNM (US) 2017-05-09 — — US disclosed
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