SCHEMBL6505255

SCHEMBL6505255

COc1cc2c(cc1S(=O)(=O)c1ccc(N3CCC(Oc4ccc(F)cc4)CC3)cc1)CCN(C)CC2

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.45
PDE4B Q07343 2/20 0.45
PDE4D Q08499 1/20 0.45
PKM P14618 1/20 0.43
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 1/20 0.41
PRKAA2 P54646 1/20 0.41
FPR2 P25090 1/20 0.40
PROKR1 Q8TCW9 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR7 P34969 1/20 0.39

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
SCHEMBL6509242 0.88 MAOB (0.54) MAOBPKMMAPTLMNAKMT2A
Hydrochloric Acid SCHEMBL6504357 0.87 MAOB (0.53) MAOBPKMMAPTLMNAKMT2A
SCHEMBL12385993 0.86 PDE4B (0.41) MAOBPDE4BPDE4DPKMLMNA
SCHEMBL6503677 0.86 PDE4B (0.41) MAOBPDE4BPDE4DPKMLMNA
SCHEMBL3903162 0.84 MAOB (0.48) MAOBPKMKMT2AHTR2AHTR2C
SCHEMBL6500880 0.83 LMNA (0.51) PDE4BPDE4DPKMMAPTLMNA
SCHEMBL6510748 0.79 HTR6 (0.46) MAOBPKMKMT2AHTR2AHTR2C
SCHEMBL6502583 0.79 LMNA (0.48) PKMMAPTLMNAL3MBTL1TSHR
SCHEMBL6504564 0.78 HTR6 (0.54) PDE4BMAPTLMNAL3MBTL1TSHR
SCHEMBL3895372 0.78 KMT2A (0.48) MAOBPKMSMN1; SMN2KMT2AHTR2A

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
WO-2005014578-A1 PHENYLSULFONYL COMPOUNDS AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2005-02-17 WO claimed
WO-2005014578-A1 PHENYLSULFONYL COMPOUNDS AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2005-02-17 WO disclosed