SCHEMBL21023766

SCHEMBL21023766

Cc1cc(C(F)(F)F)nn1C1CCNC(=O)C1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLAT P00750 1/20 0.38
MAPK1 P28482 1/20 0.36
GAA P10253 2/20 0.35
NR3C2 P08235 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE3A Q14432 2/20 0.34
TGFBR1 P36897 2/20 0.33
MAP3K12 Q12852 2/20 0.32
TACR1 P25103 1/20 0.32
PIM1 P11309 1/20 0.32
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
LMNA P02545 2/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
KDM4E B2RXH2 1/20 0.31
OPRL1 P41146 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
SCHEMBL19954668 0.84 PLAT (0.36) PLATMAPK1NR3C2PDE4BPDE3A
SCHEMBL19954572 0.84 MAPK1 (0.36) PLATMAPK1NR3C2PDE4BPDE3A
SCHEMBL14638771 0.80 PLAT (0.45) PLATGAANR3C2TGFBR1IRAK4
SCHEMBL21023567 0.79 CRBN (0.37) PLATGAANR3C2PDE4BPDE3A
SCHEMBL21780763 0.78 GAA (0.40) GAANR3C2TGFBR1LMNAKDM4E
SCHEMBL21023577 0.78 TGFBR1 (0.44) PLATGAATGFBR1
SCHEMBL18164107 0.75 GAA (0.41) GAANR3C2TGFBR1LMNAKDM4E
SCHEMBL21024096 0.75 GAA (0.44) GAANR3C2TGFBR1LMNAKDM4E
SCHEMBL12912163 0.74 GAA (0.43) GAANR3C2LMNAKDM4E
SCHEMBL18163942 0.72 GAA (0.39) MAPK1GAANR3C2TGFBR1LMNA

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
EP-3080087-B1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORP (US) 2019-05-22 EP disclosed