SCHEMBL4780290

SCHEMBL4780290

O=S(=O)(Nc1ccc(O)cc1-c1ccco1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
GAA P10253 1/20 0.50
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MMP13 P45452 1/20 0.48
HSD17B2 P37059 1/20 0.47
ACLY P53396 1/20 0.46
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SLC40A1 Q9NP59 1/20 0.46
TRPV1 Q8NER1 1/20 0.45
CLK1 P49759 1/20 0.45
CKS1B P61024 2/20 0.45
SKP2 Q13309 2/20 0.45
CCR2 P41597 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
SCHEMBL4781931 0.91 GAA (0.50) MEN1KMT2AGAACA1CA2
SCHEMBL30304653 0.86 MEN1 (0.57) MEN1KMT2AGAACA1CA2
SCHEMBL4779095 0.86 MEN1 (0.57) MEN1KMT2AGAACA1CA2
SCHEMBL3083591 0.84 SLC20A2 (0.54) MEN1KMT2AGAACA1CA2
SCHEMBL4779280 0.82 SLC40A1 (0.51) MEN1KMT2AGAACA1CA2
SCHEMBL4725832 0.81 LMNA (0.47) MEN1KMT2AGAACA1CA2
SCHEMBL4781851 0.81 AXL (0.49) MEN1KMT2AGAACA1CA2
SCHEMBL3101140 0.78 SLC20A2 (0.52) MEN1KMT2AGAACA1CA2
SCHEMBL4778521 0.76 SLC40A1 (0.51) MEN1KMT2AGAACA1CA2
SCHEMBL7578819 0.73 MEN1 (0.63) MEN1KMT2AGAACA1CA2

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