SCHEMBL8348584

SCHEMBL8348584

O=C(Nc1ccc(C2NCCS2)c(F)c1)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.49
ENPP2 Q13822 3/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
RAB9A P51151 1/20 0.47
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM1A O60341 3/20 0.45
MAOA P21397 3/20 0.45
MAOB P27338 2/20 0.45
ROCK2 O75116 2/20 0.44
RCOR1 Q9UKL0 2/20 0.44
KDM1B Q8NB78 1/20 0.43
POLB P06746 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42

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
SCHEMBL8347802 0.84 MGLL (0.47) MGLLENPP2NPC1ALDH1A1TP53
SCHEMBL7689833 0.80 MGLL (0.52) MGLLENPP2NPC1ALDH1A1TP53
SCHEMBL5730852 0.80 MGLL (0.54) MGLLENPP2NPC1ALDH1A1TP53
SCHEMBL5592097 0.80 MGLL (0.54) MGLLENPP2NPC1ALDH1A1TP53
SCHEMBL4879529 0.78 MGLL (0.52) MGLLENPP2NPC1ALDH1A1TP53
SCHEMBL14197109 0.78 MGLL (0.52) MGLLENPP2NPC1ALDH1A1TP53
SCHEMBL5592154 0.78 MGLL (0.54) MGLLENPP2NPC1ALDH1A1TP53
SCHEMBL5592090 0.77 MGLL (0.53) MGLLENPP2NPC1ALDH1A1TP53
SCHEMBL14197104 0.76 MGLL (0.55) MGLLENPP2NPC1ALDH1A1TP53
SCHEMBL4879211 0.76 MGLL (0.55) MGLLENPP2NPC1ALDH1A1TP53

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-5880118-A Substituted oxazine and thiazine oxazolidinone antimicrobials PHARMACIA & UPJOHN COMPANY (US) 1999-03-09 US disclosed
US-5688792-A BACTERICIDES PHARMACIA & UPJOHN COMPANY (US) 1997-11-18 US disclosed