SCHEMBL7076840

SCHEMBL7076840

CCOP(=O)(OCC)C(=CNc1cnc(C)cn1)c1cc(C)c(O)c(OC)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.34
NOTUM Q6P988 1/20 0.33
NPSR1 Q6W5P4 2/20 0.31
CHEK1 O14757 2/20 0.31
KDM4E B2RXH2 4/20 0.31
MAPT P10636 3/20 0.31
ALDH1A1 P00352 2/20 0.31
HTT P42858 2/20 0.31
NPC1 O15118 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 1/20 0.31
NR1I2 O75469 1/20 0.31
HMGCR P04035 1/20 0.31
GAA P10253 2/20 0.30
L3MBTL1 Q9Y468 2/20 0.30
MEN1 O00255 2/20 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
SCHEMBL6394414 0.90 NOTUM (0.32) EGFRNOTUMNPSR1KDM4EMAPT
SCHEMBL6305958 0.87 TSHR (0.41) EGFRNOTUMCHEK1KDM4EMAPT
SCHEMBL6307314 0.87 TSHR (0.41) EGFRNOTUMCHEK1KDM4EMAPT
SCHEMBL7136022 0.84 EGFR (0.34) EGFRKDM4EMAPTALDH1A1HTT
SCHEMBL7074181 0.83 GLA (0.37) EGFRKDM4EMAPTALDH1A1HTT
SCHEMBL6314583 0.83 GLA (0.37) EGFRKDM4EMAPTALDH1A1HTT
SCHEMBL6306416 0.83 GLA (0.37) EGFRKDM4EMAPTALDH1A1HTT
SCHEMBL6308373 0.82 EGFR (0.36) EGFRKDM4EMAPTALDH1A1NPC1
SCHEMBL6309282 0.81 TSHR (0.43) CHEK1KDM4EMAPTALDH1A1HTT
SCHEMBL6314533 0.80 SMN1; SMN2 (0.42) MAPTALDH1A1HTTNPC1RAB9A

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-1320536-A1 $g(a)-SUBSTITUTED $g(b)-AMINOETHYL PHOSPHONATES Ilex Oncology Research S.A. (CH) 2003-06-25 EP disclosed
WO-2002026752-A1 α-SUBSTITUTED β-AMINOETHYL PHOSPHONATES ILEX ONCOLOGY RESEARCH S.A. (CH) 2002-04-04 WO disclosed