SCHEMBL29360346

SCHEMBL29360346

O=C(O)[C@H]1CSC(c2nc3ccc(NC4CCC4)cc3s2)=N1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.66
EPHX2 P34913 1/20 0.41
NPC1 O15118 4/20 0.39
KDM4E B2RXH2 4/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
KCNK2 O95069 1/20 0.39
KCNK4 Q9NYG8 1/20 0.39
MGLL Q99685 1/20 0.38
MAOB P27338 2/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 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
SCHEMBL24832763 0.85 GPR35 (0.71) GPR35NPC1KDM4ERAB9ASMN1; SMN2
SCHEMBL17943796 0.85 GPR35 (0.71) GPR35NPC1KDM4ERAB9ASMN1; SMN2
SCHEMBL12735466 0.85 GPR35 (0.71) GPR35NPC1KDM4ERAB9ASMN1; SMN2
SCHEMBL24832764 0.85 GPR35 (0.71) GPR35NPC1KDM4ERAB9ASMN1; SMN2
SCHEMBL12652469 0.85 GPR35 (0.71) GPR35NPC1KDM4ERAB9ASMN1; SMN2
SCHEMBL12652654 0.84 GPR35 (0.67) GPR35NPC1KDM4ERAB9ASMN1; SMN2
SCHEMBL20870811 0.84 GPR35 (0.67) GPR35NPC1KDM4ERAB9ASMN1; SMN2
SCHEMBL20870531 0.82 GPR35 (0.67) GPR35NPC1KDM4ERAB9ASMN1; SMN2
SCHEMBL12941097 0.82 GPR35 (0.67) GPR35NPC1KDM4ERAB9ASMN1; SMN2
SCHEMBL19393292 0.82 GPR35 (0.70) GPR35NPC1KDM4ERAB9ASMN1; SMN2

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
US-11402380-B2 Assays for detecting antibodies capable of mediating antibody-dependent cell-mediated cytotoxicity EMORY UNIVERSITY (US) 2022-08-02 US disclosed
WO-2022016690-A1 LUCIFERASE SUBSTRATES, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 山东大学 2022-01-27 WO disclosed