SCHEMBL6598923

SCHEMBL6598923

OCc1ccc2ccocc1-2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.41
CHEK1 O14757 1/20 0.36
PDCD1 Q15116 3/20 0.34
CD274 Q9NZQ7 3/20 0.34
IMPDH2 P12268 2/20 0.34
PTGER2 P43116 1/20 0.34
ERN1 O75460 1/20 0.33
CSNK2A1 P68400 1/20 0.32
MMP2 P08253 2/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
EP300 Q09472 2/20 0.31
LPL P06858 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
NAT1 P18440 1/20 0.31
GPR84 Q9NQS5 1/20 0.30
PELI1 Q96FA3 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
SCHEMBL6599383 0.85 IMPDH2 (0.37) ESR1CHEK1PDCD1CD274IMPDH2
SCHEMBL8040627 0.81 ESR1 (0.35) ESR1IMPDH2PTGER2CSNK2A1LPL
SCHEMBL27665928 0.80 ESR1 (0.36) ESR1PTGER2ERN1LPLLIPG
SCHEMBL2097211 0.79 ESR1 (0.35) ESR1PTGER2
SCHEMBL477331 0.78 IMPDH2 (0.46) PDCD1CD274IMPDH2CSNK2A1NAT1
SCHEMBL2095531 0.76 GABRA1 (0.34) ESR1LPLLIPG
SCHEMBL2090149 0.75 ESR1 (0.31) ESR1
SCHEMBL2096300 0.70 MEN1 (0.34)
SCHEMBL4652625 0.70 PDCD1 (0.52) ESR1PDCD1CD274
SCHEMBL2010826 0.68 ESR1 (0.39) ESR1CHEK1IMPDH2PTGER2ERN1

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-1385833-A1 TRIAZINYL AMIDE DERIVATIVES AS ANGIOGENESIS INHIBITORS Amgen Inc. (US) 2004-02-04 EP disclosed
WO-2002083654-A1 TRIAZINYL AMIDE DERIVATIVES AS ANGIOGENESIS INHIBITORS AMGEN INC. (US) 2002-10-24 WO disclosed