SCHEMBL28878461

SCHEMBL28878461

C[Si](C)(C)Nc1nc2ccccc2s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.61
NPC1 O15118 15/20 0.58
RAB9A P51151 15/20 0.58
SMN1; SMN2 Q16637 12/20 0.58
KMT2A Q03164 6/20 0.58
MAPT P10636 5/20 0.58
MEN1 O00255 4/20 0.58
CASP3 P42574 1/20 0.58
SENP8 Q96LD8 1/20 0.58
SENP7 Q9BQF6 1/20 0.58
SENP6 Q9GZR1 1/20 0.58
ADORA1 P30542 1/20 0.57
DYRK1A Q13627 1/20 0.57
GAA P10253 2/20 0.54
CYP1A2 P05177 1/20 0.54
ALDH1A1 P00352 3/20 0.53
NFKB1 P19838 3/20 0.53
NFKB2 Q00653 3/20 0.53
RELA Q04206 3/20 0.53
LMNA P02545 2/20 0.53

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
SCHEMBL29973968 1.00 IDO1 (0.61) IDO1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL758888 0.80 IDO1 (0.66) IDO1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL29909885 0.80 IDO1 (0.66) IDO1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL3112891 0.79 NPC1 (0.78) IDO1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL30073965 0.79 NPC1 (0.78) IDO1NPC1RAB9ASMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL3130678 0.78 IDO1 (0.63) IDO1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL27958892 0.77 GAA (0.63) IDO1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL17833027 0.76 IDO1 (0.66) IDO1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL9754418 0.76 IDO1 (0.66) IDO1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL1132595 0.76 IDO1 (1.00) IDO1NPC1RAB9ASMN1; SMN2KMT2A

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
CN-115151536-A Antiviral compounds, compositions and methods of use 不列颠哥伦比亚大学 2022-10-04 CN disclosed