SCHEMBL6689938

SCHEMBL6689938

Cc1[nH]c(=O)[nH]c(=O)c1Br.Cc1cc(=O)[nH]c(=O)n1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.50
ALDH1A1 P00352 4/20 0.50
CYP3A4 P08684 1/20 0.50
TYMS P04818 1/20 0.44
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 6/20 0.42
MEN1 O00255 3/20 0.42
KDM4E B2RXH2 3/20 0.42
PSMD14 O00487 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 2/20 0.40
NOTUM Q6P988 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAPT P10636 1/20 0.40
TLR7 Q9NYK1 1/20 0.39

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
SCHEMBL4480638 0.85 HPGD (0.66) HPGDALDH1A1CYP3A4TYMSMAPK1
SCHEMBL4482608 0.74 ALDH1A1 (0.68) HPGDALDH1A1CYP3A4MAPK1SMN1; SMN2
SCHEMBL4486903 0.74 MEN1 (0.48) HPGDALDH1A1CYP3A4TYMSKMT2A
SCHEMBL7644570 0.70 ALDH1A1 (0.44) HPGDALDH1A1CYP3A4KMT2AMEN1
SCHEMBL2337883 0.69 HPGD (0.58) HPGDALDH1A1CYP3A4SMN1; SMN2KMT2A
SCHEMBL2891489 0.69 TYMP (0.52) SMN1; SMN2
SCHEMBL4560955 0.69 TYMP (0.52) SMN1; SMN2
SCHEMBL25130124 0.69 HPGD (0.68) HPGDALDH1A1CYP3A4SMN1; SMN2KMT2A
SCHEMBL6348563 0.68 ALDH1A1 (0.62) HPGDALDH1A1CYP3A4MAPK1SMN1; SMN2
SCHEMBL1032784 0.68 HPGD (1.00) HPGDALDH1A1CYP3A4SMN1; SMN2KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1385831-A2 PYRIMIDINE COMPOUNDS AS ANTI-ICTOGENIC AND/OR ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2004-02-04 EP disclosed
WO-2002083651-A2 PYRIMIDINE COMPOUNDS AS ANTI-ICTOGENIC AND/OR ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2002-10-24 WO disclosed