SCHEMBL8600441

SCHEMBL8600441

c1cnc2c(c1)ncc1cc[nH]c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
AXL P30530 1/20 0.44
NUDT1 P36639 1/20 0.44
PSMD14 O00487 1/20 0.40
LMNA P02545 2/20 0.38
MMP2 P08253 2/20 0.38
TSHR P16473 2/20 0.38
GMNN O75496 1/20 0.38
TP53 P04637 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
MMP9 P14780 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
MMP8 P22894 1/20 0.38
CCR1 P32246 1/20 0.38
THPO P40225 1/20 0.38
MTOR P42345 1/20 0.38

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
SCHEMBL29592557 0.76 LMNA (0.58) KDM4EAXLNUDT1PSMD14LMNA
SCHEMBL1159986 0.76 LMNA (0.58) KDM4EAXLNUDT1PSMD14LMNA
SCHEMBL2487781 0.76 ADRA2A (0.42) KDM4EAXLNUDT1PSMD14LMNA
SCHEMBL30954657 0.76 ADRA2A (0.42) KDM4EAXLNUDT1PSMD14LMNA
SCHEMBL324668 0.75 KDM4E (0.47) KDM4ELMNAMMP2TSHRGMNN
SCHEMBL455351 0.74 KDM4E (0.53) KDM4EALOX15SMN1; SMN2AHRGPR3
SCHEMBL8600442 0.73 AXL (0.46) KDM4EAXLNUDT1PSMD14LMNA
SCHEMBL27673186 0.73 KDM4E (0.52) KDM4EALOX15SMN1; SMN2AHRGPR3
Iodide SCHEMBL4717590 0.73 KDM4E (0.52) KDM4EALOX15SMN1; SMN2AHRGPR3
Hydrochloric Acid SCHEMBL3881151 0.73 KDM4E (0.52) KDM4EALOX15SMN1; SMN2AHRGPR3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0587473-B1 Condensed pyridine derivatives as inhibitors of the effects of free radicals SANOFI SA (FR) 1998-11-11 EP disclosed
US-5468750-A Antiinflammatory agents and autoimmune diseases ELF SANOFI (FR) 1995-11-21 US disclosed
US-5360799-A Free radical inhibitors ELF SANOFI (FR) 1994-11-01 US disclosed
EP-0587473-A1 Condensed pyridine derivatives as inhibitors of the effects of free radicals SANOFI (FR) 1994-03-16 EP disclosed