SCHEMBL6519905

SCHEMBL6519905

CCCCCCc1cccc(C#N)c1C#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.45
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
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KCNH2 Q12809 2/20 0.41
ALOX5 P09917 1/20 0.41
PTGS2 P35354 1/20 0.41
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38

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
SCHEMBL28984289 1.00 LIPG (0.45) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL27903024 1.00 LIPG (0.45) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL8958884 0.98 LIPG (0.42) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL8861003 0.93 NPC1 (0.40) LIPGTSHRALOX5PTGS2
SCHEMBL28452232 0.86 AR (0.43) TSHR
SCHEMBL27920563 0.86 LIPG (0.41) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL6685317 0.84 LIPG (0.53) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL6680392 0.84 LIPG (0.53) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL3164765 0.84 LIPG (0.53) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL6956286 0.84 LIPG (0.53) 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
CN-105377853-A Phthalocyanine dye used for color filter of LCD DOW GLOBAL TECHNOLOGIES INC 2016-03-02 CN disclosed
WO-2005105820-A2 MACROCYCLIC CADMIUM COMPLEXES UNIVERSITY OF EAST ANGLIA (GB) 2005-11-10 WO disclosed