SCHEMBL4781817

SCHEMBL4781817

O=S(=O)(Nc1cc(O)ccc1-c1ncco1)c1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 1/20 0.48
ACLY P53396 1/20 0.43
PIK3C2B O00750 1/20 0.43
PIK3C2G O75747 1/20 0.43
PGR P06401 4/20 0.42
SCN9A Q15858 1/20 0.41
WDR5 P61964 1/20 0.41
EDNRB P24530 1/20 0.41
EDNRA P25101 1/20 0.41
CCR2 P41597 2/20 0.41
KDR P35968 1/20 0.40
AURKB Q96GD4 1/20 0.40
FBP1 P09467 1/20 0.40
ERBB2 P04626 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
CCR1 P32246 1/20 0.40
CCR4 P51679 1/20 0.40
F2 P00734 1/20 0.40

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
SCHEMBL3101445 0.87 HSP90AA1 (0.41) PIK3C2BPIK3C2GKDRAURKBHSP90AA1
SCHEMBL3098833 0.86 SLC40A1 (0.55) SLC40A1ACLYPGRSCN9AEDNRB
SCHEMBL4781517 0.85 MEN1 (0.41) ACLYPIK3C2BPIK3C2GSCN9AKDR
SCHEMBL4782048 0.84 PGR (0.54) SLC40A1PGRSCN9ACCR4
SCHEMBL4778521 0.84 SLC40A1 (0.51) SLC40A1ACLYSCN9ACCR2
SCHEMBL4777634 0.81 SLC40A1 (0.47) SLC40A1ACLYPGRSCN9AEDNRB
SCHEMBL4781730 0.80 CCR2 (0.53) SLC40A1ACLYSCN9ACCR2CCR1
SCHEMBL13146426 0.79 CCR2 (0.52) SCN9ACCR2CCR1CCR4
SCHEMBL4781338 0.78 SLC40A1 (0.48) SLC40A1EDNRBEDNRA
SCHEMBL4780299 0.78 CYP3A4 (0.41) HSP90AA1HSP90AB1

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-2008008374-A2 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. (US) 2008-01-17 WO claimed
WO-2008008374-A2 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. (US) 2008-01-17 WO disclosed