SCHEMBL4554744

SCHEMBL4554744

O=C(NCc1cccc(-n2cccn2)c1)c1ccc(SCC(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 4/20 0.49
KLK1 P06870 2/20 0.49
LMNA P02545 1/20 0.47
PI4KB Q9UBF8 1/20 0.47
KDM4E B2RXH2 1/20 0.45
DGAT1 O75907 2/20 0.44
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
ELOVL6 Q9H5J4 1/20 0.43
MLYCD O95822 1/20 0.43
CYP4Z1 Q86W10 1/20 0.42
MAPK14 Q16539 2/20 0.41
GLS O94925 1/20 0.41
MAPK1 P28482 1/20 0.41
DGAT2 Q96PD7 1/20 0.40

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
SCHEMBL2288155 0.88 EPHX2 (0.51) KLKB1KLK1LMNAPI4KBKDM4E
SCHEMBL2288180 0.74 NR1H4 (0.56) MLYCDCYP4Z1MAPK14
SCHEMBL3163495 0.70 SCN3A (0.68) LMNA
SCHEMBL4404243 0.70 LMNA (0.54) KLKB1KLK1LMNAPI4KBKDM4E
SCHEMBL17864341 0.69 LMNA (0.60) KLKB1KLK1LMNAPI4KBKDM4E
SCHEMBL4239181 0.69 LMNA (0.58) KLKB1KLK1LMNAPI4KBKDM4E
SCHEMBL4239185 0.69 LMNA (0.58) KLKB1KLK1LMNAPI4KBKDM4E
SCHEMBL13701947 0.68 L3MBTL1 (0.62) KLKB1KLK1LMNAROCK2ROCK1
SCHEMBL12643749 0.68 PPID (0.59) KLKB1KLK1LMNAPI4KBKDM4E
SCHEMBL2287160 0.68 EPHX2 (0.54) KLKB1KLK1ROCK2ROCK1MLYCD

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
EP-2119476-B1 Amide derivatives as positive allosteric modulators and methods of use thereof ABBVIE INC (US) 2014-03-19 EP disclosed
EP-2119476-A2 Amide derivatives as positive allosteric modulators and methods of use thereof ABBOTT LABORATORIES (US) 2009-11-18 EP disclosed