SCHEMBL14959552

SCHEMBL14959552

O=[SH](=O)c1cc(F)c(Oc2ccc(Cl)cc2)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.37
MAOB P27338 3/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
SOS1 Q07889 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.35
NPBWR1 P48145 2/20 0.35
HTR2A P28223 2/20 0.34
SLC6A4 P31645 2/20 0.34
KCNH2 Q12809 2/20 0.34

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
SCHEMBL778776 0.77 PTGDR2 (0.42) MAOAMAOBPTGDR2MEN1KMT2A
SCHEMBL283161 0.77 MAOA (0.55) MAOAMAOBSOS1MEN1KMT2A
SCHEMBL15904561 0.76 HSD17B10 (0.45) MAOAMAOBPTGDR2SOS1MEN1
SCHEMBL27521693 0.75 MAOA (0.52) MAOAMAOBMEN1KMT2AALDH1A1
SCHEMBL28014796 0.75 NPBWR1 (0.42) MAOAMAOBPTGDR2ALDH1A1CYP1A2
SCHEMBL282516 0.75 SOS1 (0.45) MAOAMAOBPTGDR2SOS1MEN1
SCHEMBL14959657 0.73 PTGS2 (0.53) SOS1SLC6A4PTGS1PTGS2
SCHEMBL282676 0.73 HSPB1 (0.49) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL14997968 0.72 NPBWR1 (0.44) MAOAMAOBPTGDR2MEN1KMT2A
SCHEMBL11989282 0.72 PPARG (0.40) MAOAMAOBPTGDR2MEN1KMT2A

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
EP-1511488-B1 HUMAN ADAM-10 INHIBITORS SYMPHONY EVOLUTION INC (US) 2013-05-22 EP disclosed