SCHEMBL9026465

SCHEMBL9026465

Cc1ncoc1C(O)c1ccccc1.Cc1ncoc1C=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.35
BRD4 O60885 7/20 0.34
CREBBP Q92793 6/20 0.34
LMNA P02545 2/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GLA P06280 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL8632709 0.87 KDM4E (0.44) ALDH1A1SMN1; SMN2MAPTMAPK1KDM4E
SCHEMBL9026125 0.87 BRD4 (0.36) BRD4CREBBP
SCHEMBL8633722 0.75 BRD4 (0.41) ALDH1A1SMN1; SMN2MAPTMAPK1BRD4
SCHEMBL8634032 0.73 IMPDH2 (0.39) ALDH1A1SMN1; SMN2MAPTMAPK1BRD4
SCHEMBL8636185 0.72 BRD4 (0.43) ALDH1A1SMN1; SMN2MAPTMAPK1KDM4E
SCHEMBL8632301 0.69 GAA (0.44) ALDH1A1SMN1; SMN2MAPTMAPK1BRD4
SCHEMBL8981644 0.69 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MAPTMAPK1KDM4E
SCHEMBL8634779 0.67 KMT2A (0.38) ALDH1A1SMN1; SMN2MAPTMAPK1KDM4E
SCHEMBL8629576 0.67 BRD4 (0.44) ALDH1A1SMN1; SMN2MAPTMAPK1BRD4
SCHEMBL8634802 0.67 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2MAPTMAPK1LMNA

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-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