SCHEMBL28402134

SCHEMBL28402134

C=CNC(=O)CCc1ccc(Cl)cc1.C=COCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 1/20 0.45
PLAAT5 Q96KN8 1/20 0.45
PLAAT2 Q9NWW9 1/20 0.45
PLAAT4 Q9UL19 1/20 0.45
HDAC1 Q13547 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
ATM Q13315 1/20 0.43
P2RX7 Q99572 1/20 0.40
ALDH1A1 P00352 3/20 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
SCHEMBL7929822 0.80 HDAC1 (0.50) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL6241717 0.73 KMT2A (0.57) PLAAT3PLAAT5PLAAT2PLAAT4HDAC1
SCHEMBL6195881 0.70 PLAAT3 (0.71) PLAAT3PLAAT5PLAAT2PLAAT4HDAC1
SCHEMBL6241724 0.70 CYP1A2 (0.57) PLAAT3PLAAT5PLAAT2PLAAT4HDAC1
SCHEMBL28898679 0.69 KMT2A (0.55) PLAAT3PLAAT5PLAAT2PLAAT4HDAC1
SCHEMBL95661 0.67 CYP4F2 (0.72) PLAAT3PLAAT5PLAAT2PLAAT4KMT2A
SCHEMBL31202751 0.67 HDAC1 (0.56) PLAAT3PLAAT5PLAAT2PLAAT4HDAC1
SCHEMBL7929831 0.67 GAA (0.47) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL17967143 0.67 HDAC1 (0.57) PLAAT3PLAAT5PLAAT2PLAAT4HDAC1
SCHEMBL22522171 0.67 HDAC1 (0.49) PLAAT3PLAAT5PLAAT2PLAAT4HDAC1

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-111187176-A Method for preparing N-vinyl amide compound under catalysis of copper salt 浙江工业大学 2020-05-22 CN disclosed