SCHEMBL2828980

SCHEMBL2828980

Cc1nccc(NC(=O)Oc2nc(C)sc2Nc2cc(Cl)ccn2)n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 4/20 0.41
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
PIK3C3 Q8NEB9 10/20 0.38
IDH1 O75874 1/20 0.34
MAPT P10636 2/20 0.34
GSK3A P49840 1/20 0.33
MAPK10 P53779 1/20 0.33
RIOK2 Q9BVS4 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL2829325 0.88 JAK2 (0.41) SORT1NPC1RAB9APIK3C3
SCHEMBL2833176 0.86 SORT1 (0.41) SORT1NPC1RAB9ACASP3SENP8
SCHEMBL2830005 0.82 SORT1 (0.35) SORT1RAB9ASMN1; SMN2
SCHEMBL2826030 0.81 PIK3CA (0.37) SORT1NPC1RAB9AMAPK10SMN1; SMN2
SCHEMBL2830257 0.80 GRM5 (0.50) SORT1PIK3C3MAPT
SCHEMBL2826649 0.80 HTR2C (0.36) SORT1PIK3C3SMN1; SMN2
SCHEMBL2826529 0.79 SMN1; SMN2 (0.36) SORT1PIK3C3SMN1; SMN2
SCHEMBL2831282 0.79 NPC1 (0.43) NPC1RAB9AMAPTGSK3ASMN1; SMN2
SCHEMBL2826585 0.79 GRM5 (0.52) MAPT
SCHEMBL2832743 0.79 SORT1 (0.34) SORT1PIK3C3

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
EP-1844044-B1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-07-21 EP claimed