SCHEMBL29078052

SCHEMBL29078052

O=C1Nc2ccccc2C1(Cl)Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.57
PDK4 Q16654 1/20 0.57
LMNA P02545 2/20 0.53
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 2/20 0.50
HSD17B10 Q99714 1/20 0.50
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
GAA P10253 4/20 0.47
POLB P06746 1/20 0.47
CHRM2 P08172 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
KCNH2 Q12809 1/20 0.47
MAPK1 P28482 1/20 0.47
AKR1B1 P15121 1/20 0.47
MAPT P10636 2/20 0.46
BACE1 P56817 1/20 0.46
HPGD P15428 1/20 0.46
RUNX1 Q01196 1/20 0.46
CBFB Q13951 1/20 0.46

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
SCHEMBL3624117 0.77 PDK2 (0.57) PDK2PDK4LMNAALDH1A1KDM4E
SCHEMBL30468523 0.77 PDK2 (0.57) PDK2PDK4LMNAALDH1A1KDM4E
SCHEMBL25340217 0.76 LMNA (0.76) PDK2PDK4LMNAALDH1A1KDM4E
SCHEMBL10690527 0.76 PDK2 (0.67) PDK2PDK4LMNAALDH1A1KDM4E
SCHEMBL8127618 0.74 MAPT (0.57) PDK2PDK4LMNAALDH1A1KDM4E
SCHEMBL11442529 0.74 PDK2 (0.53) PDK2PDK4LMNAALDH1A1KDM4E
SCHEMBL29518706 0.73 PDK2 (1.00) PDK2PDK4LMNAALDH1A1KMT2A
SCHEMBL29651321 0.73 PDK2 (0.57) PDK2PDK4LMNAALDH1A1KDM4E
SCHEMBL319934 0.73 PDK2 (1.00) PDK2PDK4LMNAALDH1A1KMT2A
SCHEMBL18025775 0.73 KMT2A (0.58) PDK2PDK4LMNAALDH1A1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116621766-A Preparation method of 3, 3-dichloro oxindole and derivative thereof 南京林业大学 2023-08-22 CN claimed
CN-116621766-A Preparation method of 3, 3-dichloro oxindole and derivative thereof 南京林业大学 2023-08-22 CN disclosed
CN-116621766-A Preparation method of 3, 3-dichloro oxindole and derivative thereof 南京林业大学 2023-08-22 CN disclosed
CN-116621766-A Preparation method of 3, 3-dichloro oxindole and derivative thereof 南京林业大学 2023-08-22 CN disclosed