SCHEMBL9536366

SCHEMBL9536366

O=c1cccc(-c2ccc3ccccc3c2)[nH]1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.60
MAP2K1 Q02750 1/20 0.54
GSTP1 P09211 1/20 0.50
MMP1 P03956 1/20 0.46
MMP12 P39900 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
PTGER3 P43115 6/20 0.46
PIM1 P11309 1/20 0.45
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44

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
SCHEMBL1384813 0.76 NOTUM (1.00) NOTUMMAP2K1
SCHEMBL9536559 0.75 GSTP1 (0.47) NOTUMGSTP1CYP11B1CYP11B2PTGER3
SCHEMBL11204644 0.74 MEN1 (0.58) NOTUMMAP2K1
SCHEMBL23207309 0.74 CA9 (0.62) NOTUMGSTP1GRIN2DGRIN3BGRIN1
SCHEMBL8535240 0.72 NOTUM (0.68) NOTUMMAP2K1MMP1MMP12PIM1
SCHEMBL20719712 0.72 GABRA1 (0.54) PTGER3
SCHEMBL20719071 0.72 PTGER3 (0.49) PTGER3PIM1
SCHEMBL9701825 0.72 NOTUM (0.62) NOTUMMAP2K1
SCHEMBL7368040 0.72 NOTUM (0.62) NOTUMMAP2K1MMP1MMP12
SCHEMBL25078457 0.72 NOTUM (0.62) NOTUMMAP2K1

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-0532531-A1 PHENOL AND PYRIDINOL DERIVATIVES AS PHARMACEUTICALS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-03-24 EP disclosed
WO-1991017987-A1 PHENOL AND PYRIDINOL DERIVATIVES AS PHARMACEUTICALS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-11-28 WO disclosed