SCHEMBL28878452

SCHEMBL28878452

C[Si](C)(C)Nc1nc2ccc(OC(F)(F)F)cc2s1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.67
NPC1 O15118 6/20 0.59
RAB9A P51151 6/20 0.59
SMN1; SMN2 Q16637 6/20 0.59
SCN4A P35499 2/20 0.59
SCN9A Q15858 2/20 0.59
CYP1A2 P05177 2/20 0.59
CYP3A4 P08684 2/20 0.59
NFKB1 P19838 2/20 0.59
GAA P10253 2/20 0.59
LMNA P02545 2/20 0.59
GMNN O75496 1/20 0.59
USP2 O75604 1/20 0.59
TP53 P04637 1/20 0.59
ADORA3 P0DMS8 1/20 0.59
CYP2C9 P11712 1/20 0.59
PKM P14618 1/20 0.59
ALOX15 P16050 1/20 0.59
SLC6A2 P23975 1/20 0.59
BLM P54132 1/20 0.59

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
SCHEMBL29975006 1.00 DYRK1A (0.67) DYRK1ANPC1RAB9ASMN1; SMN2SCN4A
SCHEMBL9776980 0.86 DYRK1A (0.70) DYRK1ANPC1RAB9ASMN1; SMN2SCN4A
SCHEMBL2116986 0.84 NPC1 (0.68) DYRK1ANPC1RAB9ASMN1; SMN2SCN4A
SCHEMBL19850784 0.83 DYRK1A (0.67) DYRK1ANPC1RAB9ASMN1; SMN2SCN4A
SCHEMBL8430889 0.83 DYRK1A (0.70) DYRK1ANPC1RAB9ASMN1; SMN2SCN4A
SCHEMBL9776965 0.82 DYRK1A (0.65) DYRK1ANPC1RAB9ASMN1; SMN2SCN4A
SCHEMBL16884504 0.82 DYRK1A (0.65) DYRK1ANPC1RAB9ASMN1; SMN2SCN4A
SCHEMBL23104940 0.80 DYRK1A (1.00) DYRK1ANPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL23720640 0.80 DYRK1A (0.62) DYRK1ANPC1RAB9ASMN1; SMN2SCN4A
SCHEMBL211725 0.80 DYRK1A (0.65) DYRK1ANPC1RAB9ASMN1; SMN2SCN4A

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