SCHEMBL31469245

SCHEMBL31469245

O[C@H]1CN[C@@H]1c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.77
SLC18A3 Q16572 2/20 0.40
SIGMAR1 Q99720 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAN1B1 Q9UKM7 2/20 0.39
CHRNA7 P36544 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 1/20 0.38
GLB1 P16278 1/20 0.37
GBA2 Q9HCG7 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL19471082 1.00 GBA1 (0.77) GBA1SLC18A3SIGMAR1MEN1KMT2A
SCHEMBL17870949 1.00 GBA1 (0.77) GBA1SLC18A3SIGMAR1MEN1KMT2A
SCHEMBL17881901 1.00 GBA1 (0.77) GBA1SLC18A3SIGMAR1MEN1KMT2A
SCHEMBL13966629 0.78 GBA1 (0.55) GBA1SLC18A3SIGMAR1MEN1KMT2A
SCHEMBL17881995 0.78 GBA1 (0.55) GBA1SLC18A3SIGMAR1MEN1KMT2A
SCHEMBL13966630 0.78 GBA1 (0.55) GBA1SLC18A3SIGMAR1MEN1KMT2A
SCHEMBL17870963 0.78 GBA1 (0.55) GBA1SLC18A3SIGMAR1MEN1KMT2A
SCHEMBL17542166 0.77 GBA1 (0.53) GBA1SLC18A3SIGMAR1MEN1KMT2A
SCHEMBL17542192 0.77 GBA1 (0.53) GBA1SLC18A3SIGMAR1MEN1KMT2A
SCHEMBL17542016 0.77 GBA1 (0.53) GBA1SLC18A3SIGMAR1MEN1KMT2A

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