SCHEMBL13633577

SCHEMBL13633577

COc1ccc(/C=C/c2ccc3nc4ccccc4c(C(=O)Oc4c(C)cc(C(=O)OCc5ccccc5)cc4C)c3c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
AURKA O14965 1/20 0.41
MAOB P27338 1/20 0.40
PLA2G2A P14555 1/20 0.40
PADI4 Q9UM07 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SNCA P37840 1/20 0.38
EDNRA P25101 1/20 0.38
TOP2A P11388 1/20 0.38
TOP2B Q02880 1/20 0.38
GSK3B P49841 1/20 0.38
BACE1 P56817 1/20 0.38

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
SCHEMBL4192241 1.00 DHODH (0.45) DHODHNPC1RAB9AKDM4EPKM
SCHEMBL4183514 0.95 NPC1 (0.44) DHODHNPC1RAB9AKDM4EPKM
SCHEMBL4480370 0.93 MEN1 (0.42) MAOBMEN1KMT2AGSK3BBACE1
SCHEMBL13633574 0.92 DHODH (0.39) DHODHNPC1RAB9AKDM4EL3MBTL1
SCHEMBL3034156 0.90 PLA2G2A (0.48) DHODHNPC1KDM4EATML3MBTL1
SCHEMBL4190377 0.88 MEN1 (0.42) MAOBMEN1KMT2ATOP2ATOP2B
SCHEMBL4183628 0.88 MAPT (0.39) DHODHNPC1RAB9AKDM4EL3MBTL1
SCHEMBL924047 0.87 PLA2G2A (0.51) DHODHNPC1RAB9AKDM4EATM
SCHEMBL13633650 0.87 MAPT (0.38) DHODHNPC1RAB9AKDM4EKMT2A
SCHEMBL7532967 0.87 TACR3 (0.47) DHODHNPC1ATML3MBTL1MAOB

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
US-7611909-B1 Acridinium compound for use in the concurrent detection of target analytes in immunoassays or nucleic acid assays SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2009-11-03 US disclosed