SCHEMBL9136286

SCHEMBL9136286

CCCCCc1ccccc1C(=N)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.49
BID P55957 3/20 0.42
MCL1 Q07820 3/20 0.42
BCL2L1 Q07817 2/20 0.42
BAK1 Q16611 2/20 0.42
KAT8 Q9H7Z6 2/20 0.42
PPARA Q07869 2/20 0.42
PPARG P37231 1/20 0.42
EP300 Q09472 1/20 0.42
KAT2A Q92830 1/20 0.42
KAT2B Q92831 1/20 0.42
KAT5 Q92993 1/20 0.42
SAE1 Q9UBE0 1/20 0.42
ALOX5 P09917 1/20 0.41
PTGS2 P35354 1/20 0.41
CYSLTR2 Q9NS75 5/20 0.40
CYSLTR1 Q9Y271 5/20 0.40
CYP1A2 P05177 2/20 0.40
CES2 O00748 2/20 0.40
CES1 P23141 2/20 0.40

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
SCHEMBL9245096 0.98 LIPG (0.51) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL9244965 0.86 LIPG (0.46) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL10602798 0.81 LIPG (0.50) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL4015546 0.81 LIPG (0.54) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL11411691 0.81 LIPG (0.54) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL3642864 0.80 BID (0.49) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL28199738 0.80 LIPG (0.53) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL1078217 0.79 LIPG (0.51) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL3808798 0.79 CYP2C19 (0.44) CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL9559479 0.79 LIPG (0.51) LIPGBIDMCL1BCL2L1BAK1

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-2235001-B1 PROCESS FOR PREPARING PYRIDINONE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2014-12-24 EP disclosed
US-5413888-A Toner with polyimide and pigment XEROX CORPORATION (US) 1995-05-09 US disclosed