SCHEMBL8893601

SCHEMBL8893601

O=C(O)Cn1c(=O)[nH]c(=O)c2c(Br)cccc21

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
GLA P06280 1/20 0.42
KDM4E B2RXH2 3/20 0.41
FEN1 P39748 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
GPR17 Q13304 1/20 0.37

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
SCHEMBL4628780 0.82 APEX1 (0.47) APEX1GLAKDM4EGRIN1GRIN2B
SCHEMBL8377270 0.76 KDM4E (0.64) APEX1GLAKDM4EALDH1A1
SCHEMBL21027504 0.74 GLA (0.69) APEX1GLAKDM4EMEN1KMT2A
SCHEMBL2255490 0.72 MEN1 (0.62) APEX1GLAKDM4EMEN1KMT2A
SCHEMBL22904374 0.72 FEN1 (0.41) FEN1HPGD
SCHEMBL8893031 0.71 GRIN2D (0.48) APEX1HDAC1HDAC8HDAC6GRIN1
SCHEMBL8890567 0.71 HDAC1 (0.47) APEX1HDAC1HDAC8HDAC6GLA
SCHEMBL8890895 0.70 HDAC6 (0.58) HDAC1HDAC8HDAC6FEN1GRIN1
SCHEMBL6482979 0.69 KDM4E (0.46) APEX1HDAC1HDAC6GLAKDM4E
SCHEMBL13537857 0.69 MEN1 (0.47) HDAC1HDAC8HDAC6KDM4EGRIN1

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