SCHEMBL4781896

SCHEMBL4781896

O=S(=O)(Nc1cc(F)c(F)cc1-c1ncco1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 1/20 0.53
CLK1 P49759 1/20 0.52
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.49
CKS1B P61024 2/20 0.48
SKP2 Q13309 2/20 0.48
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TSHR P16473 1/20 0.47
AXL P30530 1/20 0.46
ACLY P53396 1/20 0.45
SCN9A Q15858 1/20 0.45
CA2 P00918 2/20 0.44
CA1 P00915 1/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44

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
SCHEMBL4795831 0.89 SLC40A1 (0.55) SLC40A1CLK1MEN1KMT2AGAA
SCHEMBL3078414 0.87 SLC40A1 (0.57) SLC40A1CLK1MEN1KMT2AGAA
SCHEMBL31478924 0.87 SLC40A1 (0.57) SLC40A1CLK1MEN1KMT2AGAA
SCHEMBL4781821 0.86 SLC40A1 (0.49) SLC40A1CLK1MEN1KMT2AGAA
SCHEMBL4777395 0.86 AXL (0.54) SLC40A1CLK1MEN1KMT2AGAA
SCHEMBL30304828 0.85 SLC40A1 (0.51) SLC40A1CLK1MEN1KMT2AGAA
SCHEMBL4778521 0.85 SLC40A1 (0.51) SLC40A1CLK1MEN1KMT2AGAA
SCHEMBL4781730 0.85 CCR2 (0.53) SLC40A1CLK1MEN1KMT2AGAA
SCHEMBL4779280 0.85 SLC40A1 (0.51) SLC40A1CLK1MEN1KMT2AGAA
SCHEMBL4727559 0.85 SLC40A1 (0.51) SLC40A1CLK1MEN1KMT2AGAA

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