SCHEMBL4749101

SCHEMBL4749101

Cc1c(F)cccc1[C@H]1[C@@H](C(=O)c2cccnc2)CN(CC(N)=O)C[C@H]1C(=O)c1cccnc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
F7 P08709 1/20 0.35
F3 P13726 1/20 0.35
SARM1 Q6SZW1 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SIRT6 Q8N6T7 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
SIRT3 Q9NTG7 1/20 0.35
SIRT5 Q9NXA8 1/20 0.35
SIRT4 Q9Y6E7 1/20 0.35
SLC18A3 Q16572 1/20 0.35
CACNA1G O43497 2/20 0.35
CACNA1H O95180 2/20 0.35
CACNA1I Q9P0X4 2/20 0.35
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34

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
SCHEMBL4749099 1.00 POLB (0.38) POLBKMT2AMEN1HPGDL3MBTL1
SCHEMBL4749061 0.89 EED (0.37) POLBKMT2AHPGDL3MBTL1SLC18A3
SCHEMBL4749058 0.89 EED (0.37) POLBKMT2AHPGDL3MBTL1SLC18A3
SCHEMBL4749102 0.87 POLB (0.36) POLBKMT2AMEN1HPGDL3MBTL1
SCHEMBL4749201 0.86 MEN1 (0.44) POLBKMT2AMEN1SLC18A3CACNA1G
SCHEMBL4748993 0.86 MEN1 (0.44) POLBKMT2AMEN1SLC18A3CACNA1G
SCHEMBL4019762 0.84 MEN1 (0.37) KMT2AMEN1HPGDGRIN1GRIN2B
SCHEMBL4019759 0.84 MEN1 (0.37) KMT2AMEN1HPGDGRIN1GRIN2B
SCHEMBL4749422 0.82 HPGD (0.34) KMT2AHPGDL3MBTL1CACNA1GCACNA1H
SCHEMBL4025206 0.81 NPC1 (0.38) KMT2AMEN1EEDCYP2D6TAAR1

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-2008140810-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-11-20 WO disclosed