SCHEMBL30173147

SCHEMBL30173147

Cn1c(CCO)nc2ccc(Br)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
USP2 O75604 2/20 0.43
MAPK1 P28482 2/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GFER P55789 1/20 0.43
HDAC6 Q9UBN7 1/20 0.42
NTRK1 P04629 1/20 0.42
NTRK2 Q16620 1/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HDAC1 Q13547 1/20 0.41
PPARG P37231 1/20 0.40
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
PDE10A Q9Y233 2/20 0.38
GAA P10253 1/20 0.38
ACACB O00763 1/20 0.38

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
SCHEMBL23638268 1.00 MAPT (0.43) MAPTUSP2MAPK1NPC1RAB9A
SCHEMBL4777935 0.87 MAPT (0.45) MAPTUSP2MAPK1NPC1RAB9A
SCHEMBL30698370 0.87 MAPT (0.45) MAPTUSP2MAPK1NPC1RAB9A
SCHEMBL24815631 0.86 ALDH1A1 (0.41) MAPTUSP2MAPK1NPC1RAB9A
SCHEMBL15111986 0.86 PPARG (0.46) MAPTUSP2MAPK1NPC1RAB9A
SCHEMBL17673776 0.84 MAPT (0.43) MAPTUSP2MAPK1NPC1RAB9A
SCHEMBL24816122 0.83 NPC1 (0.47) MAPTNPC1RAB9AHDAC6NTRK1
SCHEMBL31588703 0.82 MAPT (0.46) MAPTUSP2MAPK1NPC1RAB9A
SCHEMBL31473684 0.82 MAPT (0.46) MAPTUSP2MAPK1NPC1RAB9A
SCHEMBL15111868 0.82 MAPT (0.46) MAPTUSP2MAPK1NPC1RAB9A

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-118724899-A 2 (1H) -quinoxalinone compounds, pharmaceutical compositions and uses thereof 中国药科大学 2024-10-01 CN disclosed
CN-115504980-A Pyrimido nitrogen-containing six-membered aromatic heterocyclic compound and application thereof 石药集团中奇制药技术(石家庄)有限公司 2022-12-23 CN disclosed