SCHEMBL8079566

SCHEMBL8079566

Cc1ccc(S(=O)(=O)N(C(=O)Oc2c3ccccc3nc3ccccc23)c2ccc(CCC(=O)ON3C(=O)CCC3=O)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
KDM4E B2RXH2 2/20 0.37
CA2 P00918 3/20 0.35
TP53 P04637 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
C1R P00736 1/20 0.34
PRSS1 P07477 1/20 0.34
ALDH1A1 P00352 5/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
MAPT P10636 5/20 0.34
PSMB8 P28062 1/20 0.34
PSMB5 P28074 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PTGES O14684 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
SCHEMBL9407932 0.97 LMNA (0.35) LMNAKDM4ECA2TP53SMN1; SMN2
SCHEMBL8080908 0.93 LMNA (0.39) LMNAKDM4ETP53SMN1; SMN2C1R
SCHEMBL8074300 0.92 ALDH1A1 (0.40) LMNAKDM4ECA2TP53SMN1; SMN2
SCHEMBL8469910 0.89 LMNA (0.38) LMNAKDM4ECA2TP53C1R
SCHEMBL8074297 0.87 TSHR (0.40) LMNACA2TP53SMN1; SMN2ALDH1A1
SCHEMBL8079548 0.87 ALDH1A1 (0.38) LMNAKDM4ECA2TP53SMN1; SMN2
SCHEMBL9407920 0.87 CXCR3 (0.34) LMNAKDM4ECA2TP53SMN1; SMN2
SCHEMBL8074295 0.86 MAPT (0.40) LMNAKDM4ETP53SMN1; SMN2C1R
Bromide SCHEMBL8076253 0.85 ALDH1A1 (0.42) LMNAKDM4ETP53SMN1; SMN2ALDH1A1
SCHEMBL8066369 0.85 TP53 (0.33) LMNAKDM4ETP53SMN1; SMN2ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0330050-B1 Special chemiluminescent acridine derivatives and their use in luminescence immunoassays DADE BEHRING MARBURG GMBH (DE) 2000-08-23 EP disclosed
EP-0602524-A1 Chemiluminescence marked sequences and their use in sequence testing HOECHST AKTIENGESELLSCHAFT (DE) 1994-06-22 EP disclosed
EP-0330050-A2 Special chemiluminescent acridine derivatives and their use in luminescence immunoassays HOECHST AKTIENGESELLSCHAFT (DE) 1989-08-30 EP disclosed