SCHEMBL4191633

SCHEMBL4191633

Cc1cc(C(=O)OCc2ccccc2)cc(C)c1OC(=O)C1c2ccccc2N(CCCCS(=O)(=O)O)c2cc(C=Cc3ccc(OCc4ccccc4)cc3)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
PTPN1 P18031 5/20 0.35
LCK P06239 1/20 0.35
MEN1 O00255 1/20 0.33
HSP90AA1 P07900 1/20 0.33
KMT2A Q03164 1/20 0.33
MAOB P27338 1/20 0.33
GSK3B P49841 1/20 0.33
BACE1 P56817 1/20 0.33
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA5 P30532 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 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
SCHEMBL4178414 0.94 PRNP (0.33) DRD2DRD3MEN1KMT2AMAOB
SCHEMBL4193155 0.91 PRNP (0.33) DRD2DRD3MEN1KMT2AMAOB
SCHEMBL4195022 0.86 LCK (0.41) PTPN1LCKMEN1HSP90AA1KMT2A
SCHEMBL4189460 0.84 LCK (0.38) PTPN1LCKMEN1HSP90AA1KMT2A
SCHEMBL4187178 0.77 CHRNB2 (0.38) MEN1HSP90AA1KMT2AMAOBNPC1
SCHEMBL28095230 0.76 ALDH1A1 (0.36) MEN1KMT2ANPC1RAB9A
SCHEMBL4191631 0.73 LCK (0.34) LCKMAOBGSK3BBACE1NPC1
SCHEMBL4197435 0.71 PRNP (0.36) DRD2DRD3KMT2ANPC1RAB9A
SCHEMBL4480370 0.70 MEN1 (0.42) LCKMEN1HSP90AA1KMT2AMAOB
SCHEMBL4190377 0.69 MEN1 (0.42) LCKMEN1HSP90AA1KMT2AMAOB

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