SCHEMBL29625931

SCHEMBL29625931

CCOC(=O)COc1cc(NC(=O)Nc2cccc(C)c2)ccc1Oc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.52
KMT2A Q03164 7/20 0.48
MEN1 O00255 6/20 0.48
MAPT P10636 4/20 0.48
LMNA P02545 3/20 0.48
HTT P42858 3/20 0.48
KDR P35968 2/20 0.48
TNNI3K Q59H18 1/20 0.48
CDK8 P49336 2/20 0.47
PDGFRA P16234 1/20 0.47
NPSR1 Q6W5P4 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SAE1 Q9UBE0 1/20 0.46
UBA2 Q9UBT2 1/20 0.46
HPGD P15428 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
CASP3 P42574 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
SCHEMBL23041997 1.00 MAPK1 (0.52) MAPK1KMT2AMEN1MAPTLMNA
SCHEMBL23051399 0.92 HTT (0.50) MAPK1KMT2AMEN1MAPTLMNA
SCHEMBL23292619 0.84 LRRK2 (0.58) MAPK1KMT2AMEN1MAPTLMNA
SCHEMBL30965492 0.84 LRRK2 (0.58) MAPK1KMT2AMEN1MAPTLMNA
SCHEMBL29241578 0.83 KMT2A (0.61) MAPK1KMT2AMEN1MAPTLMNA
SCHEMBL21295531 0.83 NTRK1 (0.55) MAPK1KMT2AMEN1MAPTLMNA
SCHEMBL30744037 0.83 NTRK1 (0.55) MAPK1KMT2AMEN1MAPTLMNA
SCHEMBL21295515 0.82 MCHR1 (0.59) KMT2AMEN1MAPTLMNAKDR
SCHEMBL23041016 0.81 KMT2A (0.55) MAPK1KMT2AMEN1MAPTLMNA
SCHEMBL29625934 0.81 KMT2A (0.55) MAPK1KMT2AMEN1MAPTLMNA

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-114423743-A Triazine derivatives for the treatment of diseases associated with neurotrophic factors 阿泽克制药公司 2022-04-29 CN disclosed