SCHEMBL8632709

SCHEMBL8632709

Cc1ncoc1C(O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
BRD4 O60885 6/20 0.40
CREBBP Q92793 5/20 0.40
LMNA P02545 2/20 0.37
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL9026465 0.87 ALDH1A1 (0.39) KDM4EALDH1A1SMN1; SMN2MAPTMAPK1
SCHEMBL8633722 0.86 BRD4 (0.41) ALDH1A1SMN1; SMN2MAPTMAPK1BRD4
SCHEMBL8634032 0.83 IMPDH2 (0.39) ALDH1A1SMN1; SMN2MAPTMAPK1BRD4
SCHEMBL8636185 0.83 BRD4 (0.43) KDM4EALDH1A1SMN1; SMN2MAPTMAPK1
SCHEMBL8632301 0.79 GAA (0.44) ALDH1A1SMN1; SMN2MAPTMAPK1BRD4
SCHEMBL8981644 0.79 ALDH1A1 (0.48) KDM4EALDH1A1SMN1; SMN2MAPTMAPK1
SCHEMBL8629576 0.77 BRD4 (0.44) ALDH1A1SMN1; SMN2MAPTMAPK1BRD4
SCHEMBL8632971 0.74 NOTUM (0.38) SMN1; SMN2MAPTNPSR1GLAGAA
SCHEMBL9026125 0.73 BRD4 (0.36) BRD4CREBBP
SCHEMBL17713972 0.72 LMNA (0.49) MAPK1LMNATSHRHSD17B10NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5712299-A TREATMENT OF NEURODEGENERATIVE DISORDERS ASTRA AKTIEBOLAG (SE) 1998-01-27 US claimed
CN-1126991-A Novel (1-phenyl-1-heterocyclyl) methanol and (1-phenyl-1-heterocyclyl) methylamine derivatives ASTRA AB (SE) 1996-07-17 CN claimed
EP-0707574-A1 NOVEL (1-PHENYL-1-HETEROCYCLYL)METHANOL AND (1-PHENYL-1-HETEROCYCLYL)METHYLAMINE DERIVATIVES Astra Aktiebolag (SE) 1996-04-24 EP claimed
WO-1995001968-A1 NOVEL (1-PHENYL-1-HETEROCYCLYL)METHANOL AND (1-PHENYL-1-HETEROCYCLYL)METHYLAMINE DERIVATIVES ASTRA AKTIEBOLAG (SE) 1995-01-19 WO claimed
CN-1047169-C (1-phenyl-1-heterocyclyl) methanol and (1-phenyl-1-heterocyclyl) methylamine derivatives ASTRA AB (SE) 1999-12-08 CN disclosed
US-5712299-A TREATMENT OF NEURODEGENERATIVE DISORDERS ASTRA AKTIEBOLAG (SE) 1998-01-27 US disclosed
CN-1126991-A Novel (1-phenyl-1-heterocyclyl) methanol and (1-phenyl-1-heterocyclyl) methylamine derivatives ASTRA AB (SE) 1996-07-17 CN disclosed
EP-0707574-A1 NOVEL (1-PHENYL-1-HETEROCYCLYL)METHANOL AND (1-PHENYL-1-HETEROCYCLYL)METHYLAMINE DERIVATIVES Astra Aktiebolag (SE) 1996-04-24 EP disclosed
WO-1995001968-A1 NOVEL (1-PHENYL-1-HETEROCYCLYL)METHANOL AND (1-PHENYL-1-HETEROCYCLYL)METHYLAMINE DERIVATIVES ASTRA AKTIEBOLAG (SE) 1995-01-19 WO disclosed