SCHEMBL5032877

SCHEMBL5032877

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.56
RAB9A P51151 4/20 0.55
MAPK1 P28482 3/20 0.55
MAPT P10636 3/20 0.55
HCRTR1 O43613 1/20 0.55
TP53 P04637 1/20 0.55
ALOX15 P16050 1/20 0.55
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
NPC1 O15118 3/20 0.43
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
RXFP1 Q9HBX9 1/20 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
Bromide SCHEMBL5036774 0.99 SMN1; SMN2 (0.55) SMN1; SMN2RAB9AMAPK1MAPTHCRTR1
SCHEMBL5032811 0.88 SMN1; SMN2 (0.57) SMN1; SMN2RAB9AMAPK1MAPTHCRTR1
SCHEMBL9282913 0.84 SMN1; SMN2 (0.53) SMN1; SMN2RAB9AMAPK1MAPTHCRTR1
SCHEMBL5035286 0.81 SMN1; SMN2 (0.55) SMN1; SMN2RAB9AMAPK1MAPTHCRTR1
SCHEMBL5035221 0.79 SMN1; SMN2 (0.52) SMN1; SMN2RAB9AMAPK1MAPTHCRTR1
SCHEMBL5036732 0.78 SMN1; SMN2 (0.51) SMN1; SMN2RAB9AMAPK1MAPTHCRTR1
SCHEMBL7502575 0.71 SMN1; SMN2 (0.78) SMN1; SMN2RAB9AMAPK1MAPTHCRTR1
SCHEMBL20579804 0.71 SMN1; SMN2 (0.78) SMN1; SMN2RAB9AMAPK1MAPTHCRTR1
SCHEMBL5035217 0.71 ALDH1A1 (0.38) SMN1; SMN2RAB9AMAPK1MAPTHCRTR1
SCHEMBL7499292 0.70 SMN1; SMN2 (0.76) 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 4 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