SCHEMBL13633651

SCHEMBL13633651

COCCOCOc1ccc2nc3ccccc3c(C(=O)Oc3c(C)cc(C(=O)OC(=O)c4ccccc4)cc3C)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2N P61088 2/20 0.36
PLA2G2A P14555 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
KMT2A Q03164 3/20 0.34
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
HDAC3 O15379 1/20 0.34
APP P05067 1/20 0.34
ACHE P22303 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
NQO2 P16083 1/20 0.33
MAPT P10636 3/20 0.33

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
SCHEMBL13979972 0.89 L3MBTL1 (0.42) UBE2NPLA2G2AL3MBTL1KMT2AHDAC3
SCHEMBL13979974 0.84 TP53 (0.40) PLA2G2AL3MBTL1SMN1; SMN2KMT2AITGB1
SCHEMBL13223644 0.82 MAPT (0.42) UBE2NPLA2G2AL3MBTL1SMN1; SMN2APP
SCHEMBL13633717 0.80 PDE10A (0.42) PLA2G2ASMN1; SMN2KMT2AITGB1ITGA4
SCHEMBL13638336 0.79 KMT2A (0.39) L3MBTL1SMN1; SMN2KMT2AMAPTLMNA
SCHEMBL12088068 0.77 HRH3 (0.41) PLA2G2ASMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL10091838 0.76 KDM4E (0.39) UBE2NPLA2G2AL3MBTL1SMN1; SMN2KMT2A
SCHEMBL16141112 0.76 PLA2G2A (0.40) PLA2G2AKMT2AACHEHDAC1HDAC8
SCHEMBL16141110 0.76 PLA2G2A (0.40) PLA2G2AKMT2AACHEHDAC1HDAC8
SCHEMBL16384872 0.76 PPARA (0.38) PLA2G2ASMN1; SMN2KMT2ANQO2MAPT

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-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
EP-1104405-B1 NEAR INFRARED CHEMILUMINESCENT ACRIDINIUM COMPOUNDS AND USES THEREOF SIEMENS HEALTHCARE DIAGNOSTICS (US) 2009-02-18 EP disclosed