SCHEMBL22050494

SCHEMBL22050494

O=Cc1cccc(-c2ccc(C(=O)Cn3cc([S+]([O-])N4CCCC4)ccc3=O)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TRIM24 O15164 1/20 0.41
▸ TRIM33 Q9UPN9 1/20 0.41
▸ MKNK1 Q9BUB5 1/20 0.36
▸ MKNK2 Q9HBH9 1/20 0.36
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ LMNA P02545 1/20 0.32
▸ MCHR1 Q99705 2/20 0.32
▸ ERN1 O75460 2/20 0.31
▸ GRIN2B Q13224 3/20 0.31

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
SCHEMBL22050452 0.80 L3MBTL1 (0.44) TRIM24TRIM33RAB9ASMN1; SMN2CA12
SCHEMBL22050500 0.79 HPGD (0.41) MKNK1MKNK2RAB9ASMN1; SMN2
SCHEMBL22051941 0.79 LMNA (0.34) MKNK1MKNK2RAB9ASMN1; SMN2LMNA
SCHEMBL22051928 0.76 GRIN2B (0.38) MKNK1MKNK2GRIN2B
SCHEMBL22051934 0.74 S1PR5 (0.39) MKNK1MKNK2
SCHEMBL22050454 0.72 L3MBTL1 (0.44) RAB9ASMN1; SMN2LMNA
SCHEMBL22050824 0.72 LMNA (0.35) CA1CA2CA9LMNA
SCHEMBL22051332 0.71 DRD2 (0.34) MKNK1MKNK2RAB9ASMN1; SMN2LMNA
SCHEMBL18038965 0.69 L3MBTL1 (0.52) MKNK1MKNK2SMN1; SMN2LMNA
SCHEMBL23888898 0.68 DRD2 (0.32) MKNK1MKNK2

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
Send feedback