SCHEMBL5035221

SCHEMBL5035221

CCOC(=O)c1c(C)nc2c(OC)c(CC3OC3c3ccccc3)ccn12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.52
MAPK1 P28482 3/20 0.52
RAB9A P51151 2/20 0.52
HCRTR1 O43613 1/20 0.52
TP53 P04637 1/20 0.52
MAPT P10636 1/20 0.52
ALOX15 P16050 1/20 0.52
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
MEN1 O00255 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SIRT3 Q9NTG7 6/20 0.39
SIRT5 Q9NXA8 1/20 0.39

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
SCHEMBL5032877 0.79 SMN1; SMN2 (0.56) SMN1; SMN2MAPK1RAB9AHCRTR1TP53
Bromide SCHEMBL5036774 0.78 SMN1; SMN2 (0.55) SMN1; SMN2MAPK1RAB9AHCRTR1TP53
SCHEMBL5035286 0.76 SMN1; SMN2 (0.55) SMN1; SMN2MAPK1RAB9AHCRTR1TP53
SCHEMBL5036732 0.73 SMN1; SMN2 (0.51) SMN1; SMN2MAPK1RAB9AHCRTR1TP53
SCHEMBL20579804 0.69 SMN1; SMN2 (0.78) SMN1; SMN2MAPK1RAB9AHCRTR1TP53
SCHEMBL7502575 0.69 SMN1; SMN2 (0.78) SMN1; SMN2MAPK1RAB9AHCRTR1TP53
SCHEMBL5032811 0.68 SMN1; SMN2 (0.57) SMN1; SMN2MAPK1RAB9AHCRTR1TP53
SCHEMBL7499292 0.68 SMN1; SMN2 (0.76) SMN1; SMN2MAPK1RAB9AHCRTR1TP53
SCHEMBL17018450 0.67 SMN1; SMN2 (0.74) SMN1; SMN2MAPK1RAB9AHCRTR1TP53
SCHEMBL15631933 0.66 SMN1; SMN2 (0.65) SMN1; SMN2MAPK1RAB9AHCRTR1TP53

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