SCHEMBL4187500

SCHEMBL4187500

Cc1cc(C(=O)ON2C(=O)CCC2=O)cc(C)c1OC(=O)c1c2ccccc2[n+](C)c2cc(C=Cc3ccc(O)cc3)ccc12

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.31
ACHE P22303 2/20 0.31
KMT2A Q03164 2/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL13633675 0.95 ACHE (0.33) POLBACHEKMT2ATP53MAPT
SCHEMBL641602 0.88 ACHE (0.32) ACHEKMT2ATP53MAPT
SCHEMBL31163697 0.88 ACHE (0.32) ACHEKMT2ATP53MAPT
SCHEMBL4194167 0.87 KDM4E (0.32) POLBACHETP53MAPTSMN1; SMN2
SCHEMBL13633605 0.86 POLB (0.31) POLBACHEKMT2A
SCHEMBL13633604 0.86 TTR (0.40) POLBACHEKMT2ATP53MAPT
SCHEMBL4187766 0.86 TTR (0.40) POLBACHEKMT2ATP53MAPT
SCHEMBL4187542 0.85
SCHEMBL8910403 0.81 TERT (0.36) SMN1; SMN2
SCHEMBL29373064 0.81 TERT (0.36) SMN1; 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 8 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-7083986-B2 Near infrared chemiluminescent acridinium compounds and uses thereof BAYER HEALTHCARE LLC (US) 2006-08-01 US disclosed
US-20020076823-A1 Near infrared chemiluminescent acridinium compounds and uses thereof BAYER CORPORATION (US) 2002-06-20 US disclosed
US-6355803-B1 COMPOUND COMPRISING EXTENDED, COPLANAR, CONJUGATED SYSTEM, FORMED BY ATTACHMENT OF FUNCTIONAL GROUP COMPRISING AROMATIC RING AND ELECTRON-DONATING GROUP ON ACRIDINIUM NUCLEUS, WHICH MAINTAINS COPLANARITY DURING LIGHT EMISSION BAYER CORPORATION 2002-03-12 US disclosed
EP-1104405-A1 NEAR INFRARED CHEMILUMINESCENT ACRIDINIUM COMPOUNDS AND USES THEREOF Bayer Corporation (US) 2001-06-06 EP disclosed
WO-2000009487-A9 NEAR INFRARED CHEMILUMINESCENT ACRIDINIUM COMPOUNDS AND USES THEREOF BAYER AG (US) 2000-06-22 WO disclosed
WO-2000009487-A1 NEAR INFRARED CHEMILUMINESCENT ACRIDINIUM COMPOUNDS AND USES THEREOF BAYER CORPORATION (US) 2000-02-24 WO disclosed