SCHEMBL28868422

SCHEMBL28868422

CC(NC(=O)Cc1ccc(CN)cc1)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
HPGD P15428 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TPSAB1 Q15661 4/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 1/20 0.43
PLG P00747 1/20 0.43
PRSS1 P07477 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
CNR2 P34972 2/20 0.42
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL26749678 0.87 KMT2A (0.48) HTTHPGDKMT2AALDH1A1MAPT
SCHEMBL5842514 0.85 POLB (0.59) HPGDKMT2AALDH1A1MAPTPOLB
SCHEMBL2584802 0.84 HTT (0.50) HTTHPGDKMT2AALDH1A1MAPT
SCHEMBL6873772 0.84 HTT (0.63) HTTKMT2AALDH1A1MAPTTDP1
SCHEMBL29043470 0.80 HDAC3 (0.56) HTTKMT2AALDH1A1TPSAB1CYP2C19
SCHEMBL7449318 0.80 POLB (0.54) HPGDKMT2AALDH1A1MAPTPOLB
SCHEMBL2579036 0.79 HTT (0.49) HTTHPGDKMT2AALDH1A1MAPT
SCHEMBL2579038 0.79 HTT (0.49) HTTHPGDKMT2AALDH1A1MAPT
SCHEMBL1907957 0.78 MAPK8 (0.52) KMT2AALDH1A1POLBCNR2MEN1
SCHEMBL8802561 0.78 L3MBTL1 (0.48) HTTKMT2AALDH1A1MAPTPOLB

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-109020846-A O- replaces tyrosine Bcl-2 protein inhibitor and preparation method and application 山东大学 2018-12-18 CN disclosed