SCHEMBL22051934

SCHEMBL22051934

O=C(Cn1cc([S+]([O-])N2CCC(c3ccc(-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)cc3)CC2)ccc1=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR5 Q9H228 1/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ P2RY14 Q15391 8/20 0.37
▸ DRD1 P21728 2/20 0.36
▸ DRD5 P21918 2/20 0.36
▸ USP5 P45974 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ ADRA1B P35368 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ HRH4 Q9H3N8 1/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ ADAMTS7 Q9UKP4 1/20 0.36
▸ ADAMTS5 Q9UNA0 1/20 0.36
▸ SOS1 Q07889 1/20 0.35
▸ SLC6A7 Q99884 1/20 0.35
▸ S1PR2 O95136 1/20 0.35
▸ KDM1A O60341 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ CCR2 P41597 2/20 0.35

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
SCHEMBL22051259 0.93 KMT2A (0.36) S1PR5KMT2AP2RY14DRD1DRD5
SCHEMBL22050821 0.93 MGLL (0.35) S1PR5KMT2AP2RY14DRD1DRD5
SCHEMBL23888887 0.89 P2RY14 (0.38) S1PR5P2RY14DRD1DRD5ADRA2A
SCHEMBL22050486 0.83 USP5 (0.51) S1PR5KMT2AUSP5ADAMTS7ADAMTS5
SCHEMBL22051935 0.83 USP5 (0.51) S1PR5KMT2AUSP5ADAMTS7ADAMTS5
SCHEMBL23888878 0.83 S1PR5 (0.40) S1PR5KMT2AP2RY14DRD1DRD5
SCHEMBL22050485 0.83 S1PR5 (0.40) S1PR5KMT2AP2RY14DRD1DRD5
SCHEMBL22051332 0.82 DRD2 (0.34) P2RY14USP5SIGMAR1CCR2MKNK1
SCHEMBL22051952 0.80 USP5 (0.33) P2RY14USP5SIGMAR1
SCHEMBL23888898 0.79 DRD2 (0.32) P2RY14USP5CCR2MKNK1MKNK2

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-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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