SCHEMBL28694485

SCHEMBL28694485

CC(C)c1ccc([N+](=O)[O-])c(N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
MAPK1 P28482 2/20 0.49
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
USP30 Q70CQ3 2/20 0.45
GFER P55789 4/20 0.42
KMT2A Q03164 3/20 0.42
PLA2G1B P04054 1/20 0.41
PKM P14618 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
PARP1 P09874 1/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL28694487 1.00 MAPT (0.49) MAPTMAPK1ALDH1A1NPC1HTT
SCHEMBL29467204 1.00 MAPT (0.49) MAPTMAPK1ALDH1A1NPC1HTT
SCHEMBL29467203 1.00 MAPT (0.49) MAPTMAPK1ALDH1A1NPC1HTT
SCHEMBL24689326 0.89 MAPT (0.64) MAPTMAPK1ALDH1A1NPC1HTT
SCHEMBL30461757 0.87 FPR2 (0.47) MAPTMAPK1ALDH1A1USP30LMNA
SCHEMBL25273382 0.87 FPR2 (0.47) MAPTMAPK1ALDH1A1USP30LMNA
SCHEMBL22638389 0.86 KMT2A (0.46) MAPTMAPK1GFERKMT2APLA2G1B
SCHEMBL22638386 0.86 KMT2A (0.46) MAPTMAPK1GFERKMT2APLA2G1B
SCHEMBL28694478 0.85 MAPT (0.46) MAPTMAPK1ALDH1A1L3MBTL1USP30
SCHEMBL28694480 0.85 MAPT (0.46) MAPTMAPK1ALDH1A1L3MBTL1USP30

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-114126713-B Substituted benzimidazolone compounds 百时美施贵宝公司 2023-12-08 CN disclosed
CN-114126713-A Substituted benzimidazolone compounds 百时美施贵宝公司 2022-03-01 CN disclosed