SCHEMBL8901340

SCHEMBL8901340

COC(=O)Cn1c(=O)[nH]c(=O)c2c(Br)cc(Br)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CDK1 P06493 1/20 0.36
EGFR P00533 1/20 0.36
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 1/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
TSHR P16473 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
KAT2B Q92831 1/20 0.33

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
SCHEMBL8892597 0.77 KDM4E (0.43) KDM4ESMN1; SMN2KMT2AMEN1CYP3A4
SCHEMBL8890391 0.72 HDAC6 (0.58) KDM4ESMN1; SMN2KMT2AMEN1CYP3A4
SCHEMBL8487616 0.70 KDM4E (0.59) KDM4ESMN1; SMN2KMT2AMEN1CYP3A4
SCHEMBL8432918 0.69 CBX7 (0.47) KDM4ESMN1; SMN2KMT2AMEN1EGFR
SCHEMBL4849852 0.69 GRIA1 (0.52) KMT2AMEN1CYP2C19ALDH1A1
SCHEMBL8901336 0.68 GRIA1 (0.35) KMT2A
SCHEMBL12560654 0.68 HCAR2 (0.44) KDM4EKMT2AMEN1CYP3A4CYP2C9
SCHEMBL5712332 0.68 KDM4E (0.51) KDM4ESMN1; SMN2KMT2AMEN1CYP2C9
SCHEMBL14123262 0.67 KDM4E (0.49) KDM4ESMN1; SMN2KMT2AMEN1CYP3A4
SCHEMBL7231747 0.67 KDM4E (0.67) KDM4ESMN1; SMN2KMT2AMEN1ALDH1A1

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-1997002254-A1 QUINAZOLINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-01-23 WO disclosed