SCHEMBL22051259

SCHEMBL22051259

O=C(Cn1cc([S+]([O-])N2CCC(c3ccc(-c4cc(F)c(F)c(F)c4)cc3)CC2)ccc1=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.36
▸ S1PR5 Q9H228 1/20 0.35
▸ P2RY14 Q15391 7/20 0.33
▸ GRIN2B Q13224 4/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ SLC6A7 Q99884 1/20 0.33
▸ EIF4A3 P38919 1/20 0.33
▸ USP5 P45974 1/20 0.33
▸ DRD2 P14416 2/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ ADRA2A P08913 1/20 0.32
▸ ADRA2B P18089 1/20 0.32
▸ DRD1 P21728 1/20 0.32
▸ DRD5 P21918 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ HRH2 P25021 1/20 0.32
▸ ADRA1D P25100 1/20 0.32
▸ HTR2A P28223 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
SCHEMBL22051934 0.93 S1PR5 (0.39) KMT2AS1PR5P2RY14KDM1AMAOA
SCHEMBL22051332 0.91 DRD2 (0.34) P2RY14GRIN2BUSP5DRD2CCR2
SCHEMBL22050821 0.88 MGLL (0.35) KMT2AS1PR5P2RY14DRD2HTR1A
SCHEMBL22051952 0.88 USP5 (0.33) P2RY14USP5DRD2
SCHEMBL23888898 0.87 DRD2 (0.32) P2RY14USP5DRD2CCR2
SCHEMBL23888887 0.85 P2RY14 (0.38) S1PR5P2RY14DRD2HTR1AADRA2A
SCHEMBL22051258 0.84 USP5 (0.46) KMT2AUSP5
SCHEMBL22051935 0.77 USP5 (0.51) KMT2AS1PR5USP5
SCHEMBL22050486 0.77 USP5 (0.51) KMT2AS1PR5USP5
SCHEMBL23888878 0.77 S1PR5 (0.40) KMT2AS1PR5P2RY14KDM1AMAOA

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
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