SCHEMBL28612447

SCHEMBL28612447

O=C1CC(c2ccc(Cl)cc2)Nc2ccc(Cl)cc21

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TGM2 P21980 1/20 0.41
CES1 P23141 1/20 0.41
LIG1 P18858 2/20 0.40
TP53 P04637 1/20 0.40
MDM2 Q00987 1/20 0.40
MAPK1 P28482 1/20 0.40
TNKS2 Q9H2K2 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
SCHEMBL28601603 0.92 MAPT (0.50) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL28608488 0.91 LIG1 (0.51) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL28610945 0.91 TGM2 (0.41) MEN1KMT2AKDM4EGLAGAA
SCHEMBL28603953 0.88 KDM4E (0.48) KDM4EMAPT
SCHEMBL28603927 0.87 MAOB (0.43) MAPTMDM2
SCHEMBL3731761 0.84 ALDH1A1 (0.54) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL28600852 0.81 HTT (0.43) ALDH1A1LMNAHPGDKDM4EGAA
SCHEMBL28614923 0.80 GRIK1 (0.40) MEN1KMT2ALMNALIG1
SCHEMBL28599139 0.80 GRIK1 (0.40) MEN1KMT2ALMNALIG1
SCHEMBL28612682 0.76 PBRM1 (0.41) TGM2CES1TP53

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