SCHEMBL5334253

SCHEMBL5334253

COc1ccc(C(=O)Nc2nc3c(C)cccc3s2)cc1OC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.70
L3MBTL1 Q9Y468 2/20 0.70
HTT P42858 1/20 0.70
MAPT P10636 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
NPC1 O15118 1/20 0.64
RAB9A P51151 1/20 0.64
DUSP3 P51452 4/20 0.64
KMT2A Q03164 5/20 0.63
ALDH1A1 P00352 4/20 0.63
HPGD P15428 2/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
CHRM4 P08173 1/20 0.60
TP53 P04637 2/20 0.60
LMNA P02545 1/20 0.60
MEN1 O00255 4/20 0.57
POLB P06746 3/20 0.57
RXFP1 Q9HBX9 1/20 0.57

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
SCHEMBL10281940 0.89 MAPT (0.62) KDM4EL3MBTL1HTTMAPTSMN1; SMN2
SCHEMBL4919617 0.84 MEN1 (0.65) KDM4EL3MBTL1HTTMAPTSMN1; SMN2
SCHEMBL12830307 0.82 MAPT (0.55) KDM4EL3MBTL1HTTMAPTSMN1; SMN2
SCHEMBL4920382 0.82 MAPT (0.65) KDM4EL3MBTL1HTTMAPTSMN1; SMN2
SCHEMBL19566127 0.81 KDM4E (0.60) KDM4EL3MBTL1MAPTNPC1RAB9A
SCHEMBL5713545 0.80 MAPT (0.67) KDM4EL3MBTL1HTTMAPTSMN1; SMN2
SCHEMBL14807633 0.80 DUSP3 (0.82) KDM4EL3MBTL1HTTMAPTSMN1; SMN2
SCHEMBL2754063 0.80 MEN1 (0.60) KDM4EL3MBTL1HTTMAPTSMN1; SMN2
SCHEMBL12021634 0.79 MAPT (0.58) KDM4EL3MBTL1MAPTSMN1; SMN2NPC1
SCHEMBL2686124 0.78 KDM4E (0.75) KDM4EL3MBTL1HTTMAPTSMN1; 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 2 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