SCHEMBL4753094

SCHEMBL4753094

CC(CNCCCNC(=O)OC(C)(C)C)Cc1nc2cc3ccccc3cc2c(=O)n1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 1/20 0.41
KIF11 P52732 1/20 0.41
BRD4 O60885 6/20 0.40
TLR7 Q9NYK1 4/20 0.39
CYP3A4 P08684 1/20 0.39
SCN9A Q15858 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 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
SCHEMBL4753082 0.85 TLR7 (0.41) GNRHRKIF11BRD4TLR7CYP3A4
SCHEMBL4102093 0.81 KIF11 (0.46) GNRHRKIF11BRD4TLR7CYP3A4
SCHEMBL5248653 0.80 KIF11 (0.42) GNRHRKIF11BRD4TLR7CYP3A4
SCHEMBL5250052 0.80 KIF11 (0.40) GNRHRKIF11BRD4TLR7MAPT
SCHEMBL5754463 0.80 SYK (0.43) KIF11BRD4CYP3A4MAPT
SCHEMBL4752600 0.79 KIF11 (0.42) KIF11TLR7CYP3A4SCN9ASCN10A
SCHEMBL4753092 0.78 KIF11 (0.45) GNRHRKIF11BRD4TLR7KDM4E
SCHEMBL5754954 0.78 KIF11 (0.43) KIF11BRD4CYP3A4SCN9ASCN10A
SCHEMBL5325935 0.78 KIF11 (0.39) GNRHRKIF11BRD4TLR7MAPT
SCHEMBL4750950 0.77 TLR7 (0.48) GNRHRKIF11BRD4TLR7MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008147852-A1 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-12-04 WO disclosed