SCHEMBL4749102

SCHEMBL4749102

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 2/20 0.36
CCKBR P32239 1/20 0.35
CACNA1G O43497 2/20 0.35
CACNA1H O95180 2/20 0.35
CACNA1I Q9P0X4 2/20 0.35
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
FABP6 P51161 1/20 0.34
GAA P10253 1/20 0.34
SLC18A3 Q16572 1/20 0.34
MC4R P32245 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NAMPT P43490 1/20 0.33
HDAC4 P56524 1/20 0.33

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
SCHEMBL4749201 0.89 MEN1 (0.44) POLBKMT2ACCKBRCACNA1GCACNA1H
SCHEMBL4748993 0.89 MEN1 (0.44) POLBKMT2ACCKBRCACNA1GCACNA1H
SCHEMBL4749099 0.87 POLB (0.38) POLBHPGDL3MBTL1KMT2ACCKBR
SCHEMBL4749101 0.87 POLB (0.38) POLBHPGDL3MBTL1KMT2ACCKBR
SCHEMBL4749058 0.86 EED (0.37) POLBHPGDL3MBTL1KMT2ACCKBR
SCHEMBL4749061 0.86 EED (0.37) POLBHPGDL3MBTL1KMT2ACCKBR
SCHEMBL4749432 0.84 CYP2D6 (0.34) KMT2AMEN1MC4R
SCHEMBL4020633 0.84 MEN1 (0.35) KMT2AMEN1MC4R
SCHEMBL4027216 0.83 KMT2A (0.41) KMT2AMEN1GAAMC4RALDH1A1
SCHEMBL4026485 0.82 ALDH1A1 (0.48) L3MBTL1KMT2AMEN1GAASLC18A3

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