SCHEMBL22051254

SCHEMBL22051254

COc1ccc([S+]([O-])N2CCC(c3ccc(-c4cc(F)c(F)c(F)c4)cc3)CC2)cn1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.37
TLR9 Q9NR96 3/20 0.36
ERN1 O75460 1/20 0.35
MGLL Q99685 1/20 0.34
TRPV6 Q9H1D0 1/20 0.34
JAK2 O60674 2/20 0.33
TLR8 Q9NR97 2/20 0.33
TLR7 Q9NYK1 2/20 0.33
RPS6KA3 P51812 1/20 0.33
MAP4K1 Q92918 3/20 0.33
PTK2 Q05397 1/20 0.33
IL2 P60568 1/20 0.33
ENPP2 Q13822 1/20 0.33
USP30 Q70CQ3 1/20 0.33
TGFBR1 P36897 1/20 0.32
ACVR1 Q04771 1/20 0.32
KCNH2 Q12809 1/20 0.32
KDM1A O60341 1/20 0.32
TDO2 P48775 1/20 0.32

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
SCHEMBL22051299 0.86 TRPV6 (0.43) TLR9TRPV6JAK2PTK2ENPP2
SCHEMBL22050487 0.86 TRPV6 (0.43) TLR9TRPV6JAK2PTK2ENPP2
SCHEMBL22050475 0.80 TLR9 (0.39) TLR9TRPV6JAK2TLR8TLR7
SCHEMBL22051257 0.78 KCNH2 (0.46) CCR2KCNH2
SCHEMBL23888886 0.77 IL2 (0.32) TLR9JAK2MAP4K1PTK2IL2
SCHEMBL22051958 0.76 TLR9 (0.35) TLR9TRPV6JAK2TLR8TLR7
SCHEMBL22051314 0.74 TNKS (0.33) TRPV6
SCHEMBL22051955 0.72 CHRNB2 (0.40)
SCHEMBL22051332 0.68 DRD2 (0.34) CCR2
SCHEMBL17210747 0.66 NPC1 (0.42) KDM1A

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
EP-3888651-A1 DOCK1-INHIBITING COMPOUND AND USE THEREOF Kyushu University, National University Corporation (JP) 2021-10-06 EP disclosed
WO-2020111252-A1 DOCK1-INHIBITING COMPOUND AND USE THEREOF 国立大学法人九州大学 2020-06-04 WO disclosed