SCHEMBL28012500

SCHEMBL28012500

COc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.54
MGAM O43451 2/20 0.54
SI P14410 2/20 0.54
MGAM2 Q2M2H8 2/20 0.54
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
KDM4E B2RXH2 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 3/20 0.50
ATM Q13315 2/20 0.50
ALDH1A1 P00352 1/20 0.50
GLA P06280 1/20 0.50
POLB P06746 1/20 0.50
IDO1 P14902 1/20 0.50
RECQL P46063 1/20 0.50
TDO2 P48775 1/20 0.50
NOX1 Q9Y5S8 1/20 0.47
GUSB P08236 1/20 0.46
PDE2A O00408 1/20 0.46

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
SCHEMBL28013140 0.99 GAA (0.53) GAAMGAMSIMGAM2RAB9A
SCHEMBL29930654 0.82 KDM4E (0.73) GAAMGAMSIMGAM2RAB9A
SCHEMBL2062319 0.82 KDM4E (0.73) GAAMGAMSIMGAM2RAB9A
SCHEMBL5331780 0.81 AURKA (0.56) RAB9ANPC1KDM4EMEN1KMT2A
SCHEMBL27196551 0.81 AURKA (0.58) NOX1
SCHEMBL21180249 0.79 PDE5A (0.58) GAARAB9ANPC1KDM4EMEN1
SCHEMBL28143316 0.79 GUSB (0.56) GAARAB9ANPC1KDM4EMEN1
SCHEMBL28928675 0.78 KDM4E (0.67) GAAMGAMSIMGAM2RAB9A
SCHEMBL10067329 0.78 EIF2AK2 (0.47) GAAKDM4EMEN1KMT2AMAPT
SCHEMBL28061757 0.78 MEN1 (0.52) GAAMGAMSIMGAM2RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104530136-A Chiral platinum complex and preparation method thereof UNIV YULIN NORMAL 2015-04-22 CN disclosed