SCHEMBL5035286

SCHEMBL5035286

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.55
MAPK1 P28482 3/20 0.53
RAB9A P51151 3/20 0.53
MAPT P10636 2/20 0.53
HCRTR1 O43613 1/20 0.53
TP53 P04637 1/20 0.53
ALOX15 P16050 1/20 0.53
CYP1A2 P05177 5/20 0.46
CYP2C9 P11712 4/20 0.46
CYP2C19 P33261 4/20 0.46
CYP3A4 P08684 3/20 0.46
MEN1 O00255 1/20 0.46
CYP2D6 P10635 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RXFP1 Q9HBX9 1/20 0.40
NPC1 O15118 2/20 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 0.81 SMN1; SMN2 (0.56) SMN1; SMN2MAPK1RAB9AMAPTHCRTR1
Bromide SCHEMBL5036774 0.80 SMN1; SMN2 (0.55) SMN1; SMN2MAPK1RAB9AMAPTHCRTR1
SCHEMBL5035221 0.76 SMN1; SMN2 (0.52) SMN1; SMN2MAPK1RAB9AMAPTHCRTR1
SCHEMBL20579804 0.74 SMN1; SMN2 (0.78) SMN1; SMN2MAPK1RAB9AMAPTHCRTR1
SCHEMBL5032811 0.73 SMN1; SMN2 (0.57) SMN1; SMN2MAPK1RAB9AMAPTHCRTR1
SCHEMBL8231703 0.72 TSHR (0.40) SMN1; SMN2MAPK1RAB9AMAPTTP53
SCHEMBL5036732 0.72 SMN1; SMN2 (0.51) SMN1; SMN2MAPK1RAB9AMAPTHCRTR1
SCHEMBL7502575 0.72 SMN1; SMN2 (0.78) SMN1; SMN2MAPK1RAB9AMAPTHCRTR1
SCHEMBL7499292 0.71 SMN1; SMN2 (0.76) SMN1; SMN2MAPK1RAB9AMAPTHCRTR1
SCHEMBL17018450 0.70 SMN1; SMN2 (0.74) SMN1; SMN2MAPK1RAB9AMAPTHCRTR1

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