SCHEMBL4725832

SCHEMBL4725832

O=S(=O)(Nc1cc2c(cc1-c1ccco1)OCO2)c1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 2/20 0.44
SLC40A1 Q9NP59 1/20 0.44
CLK1 P49759 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
CCR2 P41597 2/20 0.42
ACLY P53396 1/20 0.42
TSHR P16473 1/20 0.42
PTGES2 Q9H7Z7 1/20 0.41
CKS1B P61024 2/20 0.41

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
SCHEMBL4781821 0.83 SLC40A1 (0.49) LMNANPSR1MEN1KMT2AGAA
SCHEMBL30304653 0.82 MEN1 (0.57) LMNANPSR1MEN1KMT2AGAA
SCHEMBL4779095 0.82 MEN1 (0.57) LMNANPSR1MEN1KMT2AGAA
SCHEMBL4781851 0.81 AXL (0.49) LMNANPSR1MEN1KMT2AGAA
SCHEMBL4781931 0.81 GAA (0.50) LMNANPSR1MEN1KMT2AGAA
SCHEMBL4780290 0.81 MEN1 (0.50) LMNANPSR1MEN1KMT2AGAA
SCHEMBL3101140 0.80 SLC20A2 (0.52) LMNANPSR1MEN1KMT2AGAA
SCHEMBL8658028 0.80 PTGES2 (0.51) LMNANPSR1MEN1KMT2AGAA
SCHEMBL3083591 0.78 SLC20A2 (0.54) LMNANPSR1MEN1KMT2AGAA
SCHEMBL4777459 0.77 LMNA (0.45) LMNANPSR1MEN1KMT2AGAA

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