SCHEMBL2056433

SCHEMBL2056433

O=C(N[C@H](c1ccc(S(=O)(=O)CC2CC2)cc1)C1CCCCN1)c1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.51
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
MAPK1 P28482 4/20 0.38
TRPV4 Q9HBA0 1/20 0.38
RORC P51449 1/20 0.37
AVPR2 P30518 1/20 0.37
GPR27 Q9NS67 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
PAX8 Q06710 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CCR2 P41597 2/20 0.36
PDE2A O00408 3/20 0.35
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35

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
SCHEMBL2056425 0.97 SLC6A9 (0.48) SLC6A9FLT1FLT4KDRMAPK1
SCHEMBL2056445 0.97 SLC6A9 (0.48) SLC6A9FLT1FLT4KDRMAPK1
SCHEMBL2056444 0.97 SLC6A9 (0.48) SLC6A9FLT1FLT4KDRMAPK1
SCHEMBL2056427 0.93 SLC6A9 (0.51) SLC6A9MAPK1RORCMEN1GAA
SCHEMBL2056423 0.93 SLC6A9 (0.51) SLC6A9MAPK1RORCMEN1GAA
SCHEMBL10234212 0.91 SLC6A9 (0.48) SLC6A9MAPK1RORCCCR2PDE2A
SCHEMBL10234061 0.91 SLC6A9 (0.48) SLC6A9MAPK1RORCCCR2PDE2A
SCHEMBL10232955 0.91 SLC6A9 (0.48) SLC6A9MAPK1RORCCCR2PDE2A
SCHEMBL2056369 0.84 SLC6A9 (0.75) SLC6A9
SCHEMBL2056402 0.84 SLC6A9 (0.75) SLC6A9

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
US-8163956-B2 Inhibitors of GLYT1 transporters MERCK SHARP & DOHME CORP. (US) 2012-04-24 US disclosed