SCHEMBL7844752

SCHEMBL7844752

NS(=O)(=O)c1ccc(C(=O)COc2ccc(Cl)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
CA12 O43570 5/20 0.53
CA1 P00915 5/20 0.53
CA2 P00918 5/20 0.53
CA9 Q16790 5/20 0.53
CA7 P43166 3/20 0.53
CA14 Q9ULX7 2/20 0.53
CA3 P07451 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
CA5A P35218 1/20 0.53
CA13 Q8N1Q1 1/20 0.53
CA5B Q9Y2D0 1/20 0.53
MAPT P10636 4/20 0.51
LMNA P02545 2/20 0.51
KDM4E B2RXH2 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL6325847 0.86 MAPT (0.64) MAPTLMNAKDM4EL3MBTL1RAB9A
SCHEMBL5094149 0.85 MAPT (0.55) MAOBMAPTLMNAKDM4EL3MBTL1
SCHEMBL27608859 0.85 MAPT (0.55) MAOBMAPTLMNAKDM4EL3MBTL1
SCHEMBL17895360 0.85 CA1 (0.58) MAOACA12CA1CA2CA9
SCHEMBL3868073 0.80 MAPT (0.63) MAPTLMNAKDM4EL3MBTL1RAB9A
SCHEMBL28753018 0.79 MAOB (0.58) MAOAMAOBMAPTLMNAKDM4E
SCHEMBL6321338 0.78 MAPT (0.64) MAPTLMNAKDM4EL3MBTL1RAB9A
SCHEMBL6328277 0.78 MAPT (0.64) MAPTLMNAKDM4EL3MBTL1RAB9A
SCHEMBL6204121 0.78 LMNA (0.64) MAPTLMNAKDM4EL3MBTL1MAPK1
SCHEMBL6319805 0.78 MAPT (0.68) MAOAMAOBMAPTLMNAKDM4E

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
EP-1115716-A1 2-PHENYLPYRAN-4-ONE DERIVATIVES Almirall Prodesfarma, S.A. (ES) 2001-07-18 EP disclosed
WO-2000018753-A1 2-PHENYLPYRAN-4-ONE DERIVATIVES ALMIRALL PRODESFARMA, S.A. (ES) 2000-04-06 WO disclosed