SCHEMBL4193149

SCHEMBL4193149

COc1ccc(C=Cc2ccc3c(c2)c(C(=O)Oc2c(C)cc(C(=O)OCc4ccccc4)cc2C)c2ccccc2[n+]3CCCCS(=O)(=O)O)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAOB P27338 1/20 0.34
DHODH Q02127 2/20 0.33
AURKA O14965 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
GSK3B P49841 1/20 0.32
BACE1 P56817 1/20 0.32
PPARG P37231 2/20 0.31
PPARD Q03181 2/20 0.31
PPARA Q07869 2/20 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
SCHEMBL13633578 1.00 NPC1 (0.35) NPC1ATML3MBTL1MAOBDHODH
SCHEMBL4178411 0.96 NPC1 (0.35) NPC1ATML3MBTL1MAOBDHODH
SCHEMBL5663898 0.92 NPC1 (0.35) NPC1ATML3MBTL1DHODHKDM4E
SCHEMBL13633676 0.91 PKM (0.36) NPC1L3MBTL1KDM4EALDH1A1MAPT
SCHEMBL4186120 0.91 PKM (0.36) NPC1L3MBTL1KDM4EALDH1A1MAPT
SCHEMBL4191631 0.90 LCK (0.34) NPC1MAOBSMN1; SMN2RAB9AGSK3B
SCHEMBL13633607 0.89 MAPT (0.35) L3MBTL1MAPTLMNA
SCHEMBL13223666 0.88 DHODH (0.36) NPC1ATML3MBTL1DHODHKDM4E
SCHEMBL13979976 0.86 PLA2G2A (0.31) L3MBTL1
SCHEMBL13633610 0.86 MEN1 (0.31) ALDH1A1MEN1LMNAKMT2A

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