SCHEMBL28298230

SCHEMBL28298230

COc1ccccc1-n1c(=O)[nH]c2c(NC=O)nc(-c3cccc(N)c3)nc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
GLA P06280 2/20 0.51
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
GAA P10253 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HDAC3 O15379 8/20 0.44
HDAC4 P56524 8/20 0.44
HDAC1 Q13547 8/20 0.44
HDAC7 Q8WUI4 8/20 0.44
HDAC2 Q92769 8/20 0.44
HDAC10 Q969S8 8/20 0.44
HDAC11 Q96DB2 8/20 0.44
HDAC8 Q9BY41 8/20 0.44
HDAC6 Q9UBN7 8/20 0.44
HDAC9 Q9UKV0 8/20 0.44
HDAC5 Q9UQL6 8/20 0.44
USP2 O75604 2/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 2/20 0.42

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
SCHEMBL28298224 0.88 KDM4E (0.47) KDM4EGLAALDH1A1HPGDGAA
SCHEMBL28298231 0.85 KDM4E (0.54) KDM4EGLAALDH1A1HPGDGAA
SCHEMBL28299583 0.84 KDM4E (0.55) KDM4EGLAALDH1A1HPGDGAA
SCHEMBL300813 0.82 KDM4E (0.74) KDM4EGLAALDH1A1HPGDGAA
SCHEMBL28299567 0.81 KDM4E (0.45) KDM4EGLAALDH1A1HPGDGAA
SCHEMBL28299575 0.79 PIK3CD (0.46) KDM4EGLAALDH1A1HPGDGAA
SCHEMBL28298233 0.79 KDM4E (0.47) KDM4EGLAALDH1A1HPGDGAA
SCHEMBL28298209 0.77 PIK3CD (0.48) KDM4EGLAALDH1A1HPGDHDAC3
SCHEMBL28299780 0.77 PIK3CD (0.45) KDM4EGLAHDAC3HDAC4HDAC1
SCHEMBL28299551 0.76 PIK3CD (0.47) KDM4EGLAALDH1A1HPGDGAA

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-109846884-A With TOR kinase inhibitor for treating cancer 西格诺药品有限公司 2019-06-07 CN disclosed