SCHEMBL5032811

SCHEMBL5032811

CCOC(=O)c1c(C)nc2c(O)c(CCC(=O)c3ccccc3)ccn12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.57
RAB9A P51151 4/20 0.57
MAPK1 P28482 3/20 0.57
MAPT P10636 2/20 0.57
HCRTR1 O43613 1/20 0.57
TP53 P04637 1/20 0.57
ALOX15 P16050 1/20 0.57
CYP1A2 P05177 3/20 0.45
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 1/20 0.43
NPC1 O15118 3/20 0.42

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
SCHEMBL9283229 0.89 ALDH1A1 (0.44) SMN1; SMN2RAB9AMAPK1MAPTHCRTR1
SCHEMBL5032877 0.88 SMN1; SMN2 (0.56) SMN1; SMN2RAB9AMAPK1MAPTHCRTR1
Bromide SCHEMBL5036774 0.87 SMN1; SMN2 (0.55) SMN1; SMN2RAB9AMAPK1MAPTHCRTR1
SCHEMBL9282913 0.86 SMN1; SMN2 (0.53) SMN1; SMN2RAB9AMAPK1MAPTHCRTR1
SCHEMBL5035217 0.84 ALDH1A1 (0.38) SMN1; SMN2RAB9AMAPK1MAPTHCRTR1
Hydrochloric Acid SCHEMBL11050041 0.78 ATP4A (0.50) SMN1; SMN2RAB9AMAPK1MAPTHCRTR1
SCHEMBL5330704 0.75 SMN1; SMN2 (0.43) SMN1; SMN2RAB9AMAPK1MAPTHCRTR1
SCHEMBL7502575 0.73 SMN1; SMN2 (0.78) SMN1; SMN2RAB9AMAPK1MAPTHCRTR1
SCHEMBL5035286 0.73 SMN1; SMN2 (0.55) SMN1; SMN2RAB9AMAPK1MAPTHCRTR1
SCHEMBL20579804 0.70 SMN1; SMN2 (0.78) SMN1; SMN2RAB9AMAPK1MAPTHCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0984969-B1 FUSED DIHYDROPYRANS NYCOMED GMBH (DE) 2008-07-09 EP disclosed
US-6160119-A Fused dihydropyrans BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-12-12 US disclosed
EP-0984969-A1 FUSED DIHYDROPYRANS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2000-03-15 EP disclosed
WO-1998054188-A1 FUSED DIHYDROPYRANS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-12-03 WO disclosed
WO-1995027714-A1 ACTIVE COMPOUNDS ASTRA AKTIEBOLAG (SE) 1995-10-19 WO disclosed