SCHEMBL5744962

SCHEMBL5744962

CC(C)CCCc1cccc(O)c1C(=N)N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BID P55957 7/20 0.42
MCL1 Q07820 7/20 0.42
BCL2L1 Q07817 6/20 0.42
BAK1 Q16611 6/20 0.42
KAT8 Q9H7Z6 3/20 0.42
SAE1 Q9UBE0 2/20 0.42
EP300 Q09472 2/20 0.42
KAT5 Q92993 2/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
KAT2A Q92830 1/20 0.42
KAT2B Q92831 1/20 0.42
F7 P08709 3/20 0.37
F3 P13726 3/20 0.37
MMP2 P08253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
ECE1 P42892 1/20 0.37
SGMS1 Q86VZ5 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
SCHEMBL5742816 0.85 BID (0.49) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL11393106 0.81 BID (0.63) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL5741316 0.81 GABRA1 (0.53) BIDMCL1BCL2L1BAK1GABRA1
SCHEMBL5742072 0.79 BID (0.47) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL678668 0.77 MPO (0.50) KDM4EHSD17B10
SCHEMBL16431334 0.75 BID (0.71) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL9502964 0.75 GABRA1 (0.57) GABRA1GABRB2
SCHEMBL11583779 0.72 MPO (0.49) KDM4EHSD17B10
SCHEMBL8939870 0.71 IAPP (0.49) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL11574798 0.71 AKT1 (0.40) KDM4EMAPTGABRA1GABRB2

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-1678146-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2006-07-12 EP disclosed
WO-2005040133-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-05-06 WO disclosed