SCHEMBL7837151

SCHEMBL7837151

CC(C)(C)OC(=O)C1Cc2cc(O)ccc2N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.42
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
ESR1 P03372 1/20 0.38
MAPK1 P28482 2/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
EPHX2 P34913 1/20 0.33
CASP3 P42574 1/20 0.33
EGFR P00533 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
ACHE P22303 2/20 0.32

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
SCHEMBL29057617 0.84 GAA (0.38) MAPTGAABRD4EPHX2CASP3
SCHEMBL27792288 0.82 NOTUM (0.36) MAPTGAA
SCHEMBL10909269 0.82 GAA (0.40) ESR2MAPTGAAESR1MAPK1
SCHEMBL7294748 0.81 GAA (0.61) MAPTGAAMAPK1BRD4CREBBP
SCHEMBL27358248 0.81 GAA (0.61) MAPTGAAMAPK1BRD4CREBBP
SCHEMBL6258264 0.80 GAA (0.44) ESR2MAPTGAAESR1MAPK1
SCHEMBL13202969 0.79 GAA (0.62) ESR2MAPTGAAESR1DRD2
Hydrochloric Acid SCHEMBL10909135 0.77 GAA (0.60) ESR2MAPTGAAESR1DRD2
SCHEMBL29057577 0.77 GAA (0.39) MAPTGAAEPHX2
Oxalic Acid SCHEMBL7294772 0.77 MAPT (0.60) MAPTGAAMAPK1BRD4CREBBP

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-1154774-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AstraZeneca AB (SE) 2001-11-21 EP disclosed
WO-2000047212-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2000-08-17 WO disclosed