SCHEMBL31469360

SCHEMBL31469360

C[Si](C)(C)CCOCn1nc(Br)c(-c2ccccc2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.36
F11 P03951 1/20 0.34
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
NPC1 O15118 2/20 0.33
ALOX5AP P20292 4/20 0.32
FEN1 P39748 4/20 0.32
MEN1 O00255 5/20 0.31
KMT2A Q03164 5/20 0.31
CASP1 P29466 4/20 0.31
CASP7 P55210 4/20 0.31
MAPK1 P28482 3/20 0.31
KDM4E B2RXH2 2/20 0.31
ATM Q13315 2/20 0.31
KEAP1 Q14145 2/20 0.31
NFE2L2 Q16236 2/20 0.31
CRHBP P24387 2/20 0.31
CRHR2 Q13324 2/20 0.31
USP2 O75604 1/20 0.31
TNNI3 P19429 1/20 0.31

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
SCHEMBL26101590 0.87 DGAT1 (0.45) DGAT1ALOX5APFEN1HSD17B10ALDH1A1
SCHEMBL9948523 0.83 ERBB2 (0.37) DGAT1F11NPC1MEN1KMT2A
SCHEMBL26677486 0.81 DGAT1 (0.38) DGAT1
SCHEMBL26453168 0.78 DGAT1 (0.37) DGAT1F11NPC1MEN1KMT2A
SCHEMBL4839289 0.78 F11 (0.39) DGAT1F11NPC1MAPK1KDM4E
SCHEMBL31469232 0.76 LIPG (0.40) DGAT1F11KEAP1NFE2L2
SCHEMBL31469288 0.75 DGAT1 (0.42) DGAT1F11NPC1
SCHEMBL26979580 0.74 DGAT1 (0.39) DGAT1NR1H2NR1H3NPC1KDM4E
SCHEMBL13510721 0.73 NR1H3 (0.44) NR1H2NR1H3NPC1MEN1KMT2A
SCHEMBL25120641 0.72 NR1H3 (0.46) DGAT1NR1H2NR1H3NPC1L3MBTL1

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
CN-122029158-A EGFR inhibitors 缆图药品公司 2026-05-12 CN disclosed
WO-2025080784-A1 EGFR INHIBITORS BLUEPRINT MEDICINES CORPORATION (US) 2025-04-17 WO disclosed