SCHEMBL7843739

SCHEMBL7843739

CCCCc1cccc(C)c1C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BID P55957 6/20 0.49
MCL1 Q07820 6/20 0.49
BCL2L1 Q07817 5/20 0.49
BAK1 Q16611 5/20 0.49
KAT8 Q9H7Z6 3/20 0.49
PPARA Q07869 3/20 0.49
PPARG P37231 2/20 0.49
SAE1 Q9UBE0 2/20 0.49
EP300 Q09472 2/20 0.49
KAT5 Q92993 2/20 0.49
KAT2A Q92830 1/20 0.49
KAT2B Q92831 1/20 0.49
F7 P08709 3/20 0.43
F3 P13726 3/20 0.43
MMP2 P08253 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
ECE1 P42892 1/20 0.43
SGMS1 Q86VZ5 1/20 0.43

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
SCHEMBL2857937 0.84 GABRA1 (0.45) HSD17B10
SCHEMBL6565772 0.83 BID (0.49) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL8094015 0.83 BID (0.49) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL8085908 0.83 BID (0.49) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL29012850 0.83 BID (0.49) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL28201594 0.83 BID (0.60) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL27365794 0.82 BID (0.48) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL30742591 0.82 BID (0.48) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL9360924 0.81 BID (0.54) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL9342117 0.80 BID (0.69) BIDMCL1BCL2L1BAK1KAT8

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-1150565-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION bioscience AG (DE) 2001-11-07 EP claimed
WO-2000045635-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2000-08-10 WO claimed