SCHEMBL13633717

SCHEMBL13633717

COCCOCOc1ccc2nc3ccccc3c(C(=O)O)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
KDM4E B2RXH2 5/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
NPC1 O15118 2/20 0.41
HPGD P15428 2/20 0.41
POLB P06746 2/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RAB9A P51151 1/20 0.41
DHODH Q02127 2/20 0.41
PLA2G2A P14555 2/20 0.40

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
SCHEMBL13979974 0.89 TP53 (0.40) PDE10AMEN1KMT2AITGB1ITGA4
SCHEMBL10091837 0.85 APP (0.47) KDM4ESMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL13985404 0.82 DHODH (0.58) PDE10AMEN1KMT2AITGB1ITGA4
SCHEMBL13633651 0.80 UBE2N (0.36) MEN1KMT2AITGB1ITGA4KDM4E
SCHEMBL3036200 0.80 KDM4E (0.56) PDE10AMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL4188279 0.79 RAB9A (0.42) PDE10AMEN1KMT2AITGB1ITGA4
SCHEMBL13979972 0.78 L3MBTL1 (0.42) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL4796184 0.78 HDAC3 (0.56) MEN1KMT2AKDM4EALDH1A1NPC1
SCHEMBL923917 0.73 MMP13 (0.55) MEN1KMT2ASMN1; SMN2RAB9APLA2G2A
SCHEMBL12943042 0.73 PLA2G2A (0.58) MEN1KMT2AKDM4ESMN1; SMN2ALDH1A1

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 3 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
US-7459284-B2 Chemiluminescent acridinium compounds and analogues thereof as substrates of hydrolytic enzymes SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2008-12-02 US disclosed