SCHEMBL5312666

SCHEMBL5312666

Cc1nc(-c2n[nH]c3cccc(Cc4ccccc4F)c23)oc1CO

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 1/20 0.35
MAP2K4 P45985 4/20 0.34
MAPK1 P28482 3/20 0.34
MAPKAPK2 P49137 2/20 0.34
MAPK6 Q16659 2/20 0.34
MAPKAPK3 Q16644 1/20 0.34
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MPO P05164 1/20 0.31
SLC5A1 P13866 1/20 0.31
SLC5A2 P31639 1/20 0.31
FFAR1 O14842 2/20 0.31
AR P10275 1/20 0.31
PPARD Q03181 1/20 0.31
GPR84 Q9NQS5 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL5419366 0.88 AR (0.32) MAP4K1MAP2K4MAPK1MAPKAPK2MAPK6
SCHEMBL5314312 0.88 PPARD (0.34) MAP4K1MAP2K4MAPK1MAPKAPK2MAPK6
SCHEMBL5313810 0.87 MAP2K4 (0.37) MAP2K4MAPK1MAPKAPK2MAPK6NPSR1
SCHEMBL8470221 0.83 MAP4K1 (0.34) MAP4K1MAPK1KDM4EALDH1A1NPSR1
SCHEMBL8332364 0.76 PDE5A (0.41) MAP2K4MAPK1MAPKAPK2MAPK6MAPKAPK3
SCHEMBL5314525 0.75 MAPK1 (0.34) MAP2K4MAPK1MAPKAPK2MAPK6SLC5A1
SCHEMBL5313829 0.73 ALDH1A1 (0.36) MAP2K4MAPK1MAPKAPK2MAPK6ALDH1A1
SCHEMBL7810926 0.70 AR (0.39) KDM4EALDH1A1NPSR1HPGDMPO
SCHEMBL8327060 0.69 AR (0.35) MAPK1KDM4EALDH1A1HSD17B10MPO
SCHEMBL8327929 0.66 PDE5A (0.37) MAP2K4MAPK1MAPKAPK2MAPK6MAPKAPK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007065010-A2 ANTI-ANGIOGENESIS COMPOUNDS HIF BIO, INC. (US) 2007-06-07 WO disclosed
EP-0934311-A2 NEW HETEROCYCLYLMETHYL-SUBSTITUTED PYRAZOL DERIVATES BAYER AG (DE) 1999-08-11 EP disclosed
WO-1998016507-A2 NEW HETEROCYCLYLMETHYL-SUBSTITUTED PYRAZOL DERIVATES AND THEIR USE FOR TREATING CARDIOVASCULAR DISEASES BAYER AKTIENGESELLSCHAFT (DE) 1998-04-23 WO disclosed