SCHEMBL28979609

SCHEMBL28979609

C[Si](C)(C#Cc1ccccc1)CI

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
THPO P40225 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
CYP2D6 P10635 1/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
KMT2A Q03164 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRM1 Q13255 1/20 0.44

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
SCHEMBL10606190 0.75 APP (0.55) GRM5NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL3885779 0.75 APP (0.55) GRM5NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL563613 0.75 APP (0.55) GRM5NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL6255372 0.74 APP (0.48) GRM5NPC1RAB9ASMN1; SMN2CYP1A2
Diphenylacetylene SCHEMBL3842452 0.73 APP (0.60) GRM5NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL6254610 0.72 APP (0.46) GRM5NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL712499 0.71 APP (0.57) GRM5NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL8992379 0.71 APP (0.50) GRM5NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL9719939 0.71 APP (0.50) GRM5NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL9719941 0.71 APP (0.50) GRM5NPC1RAB9ASMN1; SMN2CYP1A2

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-115745537-A Lightweight plastering mortar and preparation method thereof 唐山盾石干粉建材有限责任公司 2023-03-07 CN disclosed