SCHEMBL8886920

SCHEMBL8886920

COc1ccc(Cn2nc(-c3cccc(OCCc4ccccc4)c3)c(-c3ccc(=O)[nH]n3)c2-c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CDC7 O00311 1/20 0.39
LMNA P02545 1/20 0.39
HDAC1 Q13547 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
SLC2A1 P11166 1/20 0.37
SLC16A3 O15427 2/20 0.37
SLC16A1 P53985 2/20 0.37
MCTS1 Q9ULC4 2/20 0.37
MET P08581 1/20 0.37
ADORA2A P29274 1/20 0.37
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37
BUB1 O43683 1/20 0.36
MAPT P10636 2/20 0.36

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
SCHEMBL8887601 0.87 LMNA (0.48) KMT2AMEN1HTTSMN1; SMN2NPSR1
SCHEMBL8889377 0.80 LMNA (0.48) KMT2AMEN1HTTSMN1; SMN2NPSR1
SCHEMBL8889588 0.79 CYP1A2 (0.49) KMT2AMEN1HTTSMN1; SMN2NPSR1
SCHEMBL8889202 0.76 CYP1A2 (0.41) KMT2AMEN1MAPT
SCHEMBL8890203 0.74 CYP1A2 (0.47) MAPT
SCHEMBL8889716 0.70 PDE4A (0.52) KMT2AMEN1HTTSMN1; SMN2NPSR1
SCHEMBL8889113 0.70 CYP1A2 (0.50) KMT2AMEN1SMN1; SMN2LMNAMAPT
SCHEMBL8889460 0.69 MEN1 (0.48) KMT2AMEN1HTTSMN1; SMN2NPSR1
SCHEMBL8886943 0.68 LMNA (0.49) KMT2AMEN1HTTSMN1; SMN2NPSR1
SCHEMBL8193845 0.68 PDE3A (0.56) SMN1; SMN2LMNANR1H2NR1H3MAPT

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
WO-1997001551-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-01-16 WO disclosed