SCHEMBL4193155

SCHEMBL4193155

COc1ccc(C=Cc2ccc3c(c2)C(C(=O)Oc2c(C)cc(C(=O)OCc4ccccc4)cc2C)c2ccccc2N3CCCCS(=O)(=O)O)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRNP P04156 1/20 0.33
MAOB P27338 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
DHODH Q02127 1/20 0.33
CYP3A4 P08684 3/20 0.32
MAPT P10636 3/20 0.32
ALDH1A1 P00352 3/20 0.32
LMNA P02545 3/20 0.32
TBXAS1 P24557 1/20 0.32
TP53 P04637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 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
SCHEMBL4178414 0.97 PRNP (0.33) PRNPMAOBDRD2DRD3DHODH
SCHEMBL4191633 0.91 DRD2 (0.36) MAOBDRD2DRD3MEN1KMT2A
SCHEMBL4186127 0.91 SNCA (0.33) DRD2DRD3CYP3A4MAPTALDH1A1
SCHEMBL4189460 0.82 LCK (0.38) MAOBMEN1KMT2AGSK3BBACE1
SCHEMBL4185436 0.81 TTR (0.35) MAPTALDH1A1TP53SMN1; SMN2
SCHEMBL4195022 0.78 LCK (0.41) MAOBMEN1KMT2AGSK3BBACE1
SCHEMBL28095230 0.76 ALDH1A1 (0.36) CYP3A4MAPTALDH1A1LMNATP53
SCHEMBL4190725 0.74 DRD2 (0.33) DRD2DRD3MAPTALDH1A1LMNA
SCHEMBL4197435 0.74 PRNP (0.36) PRNPDRD2DRD3MAPTALDH1A1
SCHEMBL4178411 0.73 NPC1 (0.35) MAOBDHODHMAPTALDH1A1LMNA

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