SCHEMBL28612682

SCHEMBL28612682

Cc1ccc(C2CC(=O)c3cc(Cl)ccc3N2)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 2/20 0.41
TGM2 P21980 1/20 0.38
CES1 P23141 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
TP53 P04637 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
SCHEMBL28608462 0.84 ALDH1A1 (0.38) PBRM1TP53
SCHEMBL28608529 0.83 RAB9A (0.38) TP53
SCHEMBL28608514 0.82 MAPT (0.39) TP53
SCHEMBL28610945 0.82 TGM2 (0.41) TGM2CES1
SCHEMBL28604175 0.82 KMT2A (0.48) PBRM1
SCHEMBL28600852 0.82 HTT (0.43) TGM2CES1TP53
SCHEMBL28603953 0.80 KDM4E (0.48)
SCHEMBL28612447 0.76 MEN1 (0.43) TGM2CES1TP53
SCHEMBL28601603 0.75 MAPT (0.50)
SCHEMBL28606293 0.72 MAOB (0.48)

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