SCHEMBL4188548

SCHEMBL4188548

O=C(O)c1c2ccccc2nc2cc(-c3ccc(OCc4ccccc4)cc3)ccc12

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.55
NR4A2 P43354 2/20 0.49
NR4A1 P22736 1/20 0.49
NR4A3 Q92570 1/20 0.49
PTGER4 P35408 2/20 0.48
PTGER3 P43115 1/20 0.48
P2RY14 Q15391 1/20 0.48
EGLN1 Q9GZT9 1/20 0.48
DHODH Q02127 1/20 0.47
GSTP1 P09211 1/20 0.47
ANO1 Q5XXA6 1/20 0.47
GSK3B P49841 1/20 0.47
MDM2 Q00987 1/20 0.46
FFAR1 O14842 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
SCHEMBL4796184 0.85 HDAC3 (0.56) MCL1NR4A2NR4A1NR4A3P2RY14
SCHEMBL13638494 0.84 ENPP3 (0.51) MCL1DHODHGSTP1GSK3B
SCHEMBL13638495 0.82 DHODH (0.45) MCL1PTGER4PTGER3DHODHANO1
SCHEMBL4194817 0.79 MEN1 (0.41) MCL1PTGER4PTGER3EGLN1DHODH
SCHEMBL7102939 0.77 MAOB (0.54) FFAR1
SCHEMBL9429110 0.76 MMP13 (0.45) DHODH
SCHEMBL923917 0.75 MMP13 (0.55) ANO1
SCHEMBL27754433 0.74 NR4A2 (0.69) MCL1NR4A2NR4A1NR4A3P2RY14
Bicarbonate SCHEMBL9638235 0.73 FFAR1 (0.71) MCL1NR4A2NR4A1NR4A3PTGER4
SCHEMBL6584881 0.73 KDM4E (0.56)

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 10 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
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
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