SCHEMBL28606293

SCHEMBL28606293

Cc1ccc2c(c1)C(=O)CC(c1ccccc1)N2

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.48
BRD4 O60885 1/20 0.48
ROS1 P08922 1/20 0.44
CDK5 Q00535 1/20 0.44
ACVR1 Q04771 1/20 0.44
LRRK2 Q5S007 1/20 0.44
CYP19A1 P11511 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL28603953 0.87 KDM4E (0.48) MAOBBRD4MAPT
SCHEMBL1501833 0.83 TNKS2 (0.54) MAOBBRD4ALDH1A1LMNAMAPT
SCHEMBL28603932 0.82 ALDH1A1 (0.39) ALDH1A1LMNAMAPT
SCHEMBL28601603 0.81 MAPT (0.50) BRD4LRRK2CYP19A1ALDH1A1LMNA
SCHEMBL2349856 0.81 TRPM5 (0.43) BRD4MAPT
SCHEMBL28610945 0.81 TGM2 (0.41) MAOBBRD4MAPT
Aza-Flavanone SCHEMBL1501991 0.80 MAPT (0.56) MAOBBRD4CYP19A1ALDH1A1LMNA
SCHEMBL28612430 0.79 MAOA (0.40) MAOB
SCHEMBL14522626 0.79 TRPM5 (0.44) BRD4MAPT
SCHEMBL28244738 0.78 BRD4 (0.44) MAOBBRD4ALDH1A1LMNAMAPT

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-108558756-B 2-aryl-2, 3-dihydro-4 (1H) -quinolinone semicarbazone compound and application thereof 沈阳药科大学 2021-08-03 CN claimed