SCHEMBL4749422

SCHEMBL4749422

Cc1c(F)cccc1[C@H]1[C@@H](C(=O)c2cccnc2)CN(CC(=O)NC(C(=O)N(C)C)N2C[C@H](C(=O)c3cccnc3)[C@H](c3cccc(F)c3C)[C@H](C(=O)c3cccnc3)C2)C[C@H]1C(=O)c1cccnc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 1/20 0.34
CCKBR P32239 1/20 0.34
CYP3A4 P08684 2/20 0.33
CACNA1G O43497 3/20 0.33
CACNA1H O95180 3/20 0.33
CACNA1I Q9P0X4 3/20 0.33
KCNA5 P22460 2/20 0.32
TP53 P04637 2/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
EED O75530 1/20 0.31
GAA P10253 1/20 0.31
CYP2C19 P33261 1/20 0.31
PIK3CD O00329 1/20 0.31
SCN9A Q15858 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CHRNB2 P17787 1/20 0.31

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
SCHEMBL4749407 0.88 EED (0.32) L3MBTL1KMT2ASMN1; SMN2EEDGAA
SCHEMBL4749061 0.86 EED (0.37) HPGDL3MBTL1KMT2ACCKBRCACNA1G
SCHEMBL4749058 0.86 EED (0.37) HPGDL3MBTL1KMT2ACCKBRCACNA1G
SCHEMBL4749099 0.82 POLB (0.38) HPGDL3MBTL1KMT2ACCKBRCACNA1G
SCHEMBL4749101 0.82 POLB (0.38) HPGDL3MBTL1KMT2ACCKBRCACNA1G
SCHEMBL4749102 0.79 POLB (0.36) HPGDL3MBTL1KMT2ACCKBRCACNA1G
SCHEMBL4749201 0.78 MEN1 (0.44) KMT2ACCKBRCACNA1GCACNA1HCACNA1I
SCHEMBL4019577 0.76 EED (0.37) L3MBTL1KMT2ACYP3A4TSHRSMN1; SMN2
SCHEMBL4019982 0.75 KMT2A (0.39) KMT2AEEDALDH1A1LMNA
SCHEMBL4019987 0.75 KMT2A (0.39) KMT2AEEDALDH1A1LMNA

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