SCHEMBL28298728

SCHEMBL28298728

CCCCCCCCCCCc1nc2cccc(CCCCCCCCCCC)c2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.48
POLB P06746 1/20 0.46
TLR8 Q9NR97 5/20 0.45
KCNH2 Q12809 1/20 0.45
PTGS2 P35354 1/20 0.44
PI4KA P42356 1/20 0.43
PI4K2B Q8TCG2 1/20 0.43
PI4K2A Q9BTU6 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
GPR84 Q9NQS5 2/20 0.42

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
SCHEMBL27696704 1.00 PARP1 (0.48) PARP1POLBTLR8KCNH2PTGS2
SCHEMBL28988341 1.00 PARP1 (0.48) PARP1POLBTLR8KCNH2PTGS2
SCHEMBL16097303 1.00 PARP1 (0.48) PARP1POLBTLR8KCNH2PTGS2
SCHEMBL3857633 0.98 PARP1 (0.49) PARP1POLBTLR8KCNH2PTGS2
SCHEMBL28200574 0.90 TLR8 (0.42) PARP1TLR8KCNH2PTGS2
SCHEMBL28200578 0.90 TLR8 (0.42) PARP1TLR8KCNH2PTGS2
SCHEMBL11498420 0.88 TLR8 (0.41) PARP1TLR8KCNH2PTGS2
SCHEMBL28290068 0.86 TLR8 (0.48) PARP1POLBTLR8
SCHEMBL8593648 0.86 PARP1 (0.45) PARP1POLBTLR8PTGS2
Hydrogen Sulfide SCHEMBL28290029 0.85 TLR8 (0.47) PARP1POLBTLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109963888-A It is used to prepare the method for being suitable for bull or double end composition that chain shuttle moves 陶氏环球技术有限责任公司 2019-07-02 CN disclosed
CN-109952324-A The sealing end bull or double end composition that are moved suitable for chain shuttle and preparation method 陶氏环球技术有限责任公司 2019-06-28 CN disclosed
CN-109937217-A The bull or double end composition that are moved suitable for chain shuttle and preparation method 陶氏环球技术有限责任公司 2019-06-25 CN disclosed