SCHEMBL8545802

SCHEMBL8545802

O=S(=O)(c1cc(Cl)cc(OCCNc2ccncc2)c1)N(Cc1ccccc1)c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 15/20 0.75
PKM P14618 1/20 0.51
NAMPT P43490 1/20 0.47
PGR P06401 2/20 0.47
NR3C1 P04150 1/20 0.44
MAPT P10636 1/20 0.43

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
SCHEMBL8548009 0.91 F2 (0.64) F2PKMNAMPTPGRNR3C1
SCHEMBL8547842 0.89 F2 (0.67) F2NAMPTPGRNR3C1MAPT
SCHEMBL7364438 0.87 F2 (0.67) F2PKMPGR
SCHEMBL8548264 0.86 PKM (0.57) F2PKMNAMPTPGRNR3C1
SCHEMBL8546878 0.85 F2 (1.00) F2
SCHEMBL8542813 0.83 F2 (0.73) F2PKMNR3C1MAPT
SCHEMBL8543114 0.81 F2 (0.62) F2PKMNR3C1MAPT
SCHEMBL7332305 0.77 PGR (0.55) PGRNR3C1MAPT
SCHEMBL27336362 0.76 GAA (0.52) F2PGRNR3C1MAPT
SCHEMBL8548218 0.76 NAMPT (0.56) F2PKMNAMPTMAPT

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-0687253-B1 4-AMINOPYRIDINES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS CONTAINING THE SAME BOEHRINGER MANNHEIM GMBH (DE) 1998-12-16 EP disclosed