SCHEMBL5331111

SCHEMBL5331111

Cc1[nH]nc(-c2ccc(O)cc2O)c1-c1nc2ccccc2s1

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.90
KDM4E B2RXH2 5/20 0.90
POLB P06746 4/20 0.90
RAB9A P51151 3/20 0.62
NPSR1 Q6W5P4 2/20 0.62
NPC1 O15118 2/20 0.62
ILK Q13418 4/20 0.59
SMN1; SMN2 Q16637 2/20 0.57
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
ALDH1A1 P00352 4/20 0.56
HTT P42858 3/20 0.56
ATM Q13315 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
GPR55 Q9Y2T6 3/20 0.52
ALOX12 P18054 2/20 0.52
GAA P10253 2/20 0.52
MAPK1 P28482 2/20 0.52
CNR1 P21554 1/20 0.52
CNR2 P34972 1/20 0.52

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
SCHEMBL30203865 1.00 MAPT (0.90) MAPTKDM4EPOLBRAB9ANPSR1
SCHEMBL14396306 0.82 MAPT (0.70) MAPTKDM4EPOLBRAB9ANPSR1
SCHEMBL14396300 0.81 MAPT (0.63) MAPTKDM4EPOLBRAB9ANPSR1
SCHEMBL12768521 0.78 MAPT (0.75) MAPTKDM4EPOLBRAB9ANPSR1
SCHEMBL29693710 0.78 KDM4E (1.00) MAPTKDM4EPOLBRAB9ANPSR1
SCHEMBL7192101 0.78 KDM4E (1.00) MAPTKDM4EPOLBRAB9ANPSR1
SCHEMBL687435 0.77 KDM4E (0.71) MAPTKDM4EPOLBRAB9ANPSR1
SCHEMBL30204288 0.76 MAPT (0.75) MAPTKDM4EPOLBNPSR1SMN1; SMN2
SCHEMBL5269762 0.76 MAPT (0.75) MAPTKDM4EPOLBNPSR1SMN1; SMN2
SCHEMBL18292277 0.75 MEN1 (0.61) MAPTKDM4EPOLBNPSR1SMN1; SMN2

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
US-20070148185-A1 Novel therapeutic target for protozoal diseases VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2007-06-28 US claimed
WO-2007047579-A2 A NOVEL THERAPEUTIC TARGET FOR PROTOZOAL DISEASES VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2007-04-26 WO claimed
US-20070203224-A1 SMALL-MOLECULES FOR TREATING CANCER AND ABNORMAL CELL PROLIFERATION DISORDERS UNIVERSITY OF SOUTHERN CALIFORNIA 2007-08-30 US disclosed
US-20070203224-A1 SMALL-MOLECULES FOR TREATING CANCER AND ABNORMAL CELL PROLIFERATION DISORDERS UNIVERSITY OF SOUTHERN CALIFORNIA 2007-08-30 US disclosed