SCHEMBL8080908

SCHEMBL8080908

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.39
TP53 P04637 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
C1R P00736 1/20 0.36
PRSS1 P07477 1/20 0.36
ALDH1A1 P00352 3/20 0.35
CTSG P08311 1/20 0.35
CMA1 P23946 1/20 0.35
MAPT P10636 5/20 0.35
PTGES O14684 2/20 0.35
ALOX5 P09917 2/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL8079566 0.93 LMNA (0.37) LMNATP53SMN1; SMN2C1RPRSS1
SCHEMBL9407932 0.90 LMNA (0.35) LMNATP53SMN1; SMN2C1RPRSS1
SCHEMBL8469903 0.88 LMNA (0.40) LMNATP53C1RPRSS1ALDH1A1
SCHEMBL8074295 0.88 MAPT (0.40) LMNATP53SMN1; SMN2C1RPRSS1
Bromide SCHEMBL9408007 0.85 KEAP1 (0.41) LMNATP53SMN1; SMN2C1RPRSS1
SCHEMBL8074300 0.85 ALDH1A1 (0.40) LMNATP53SMN1; SMN2C1RALDH1A1
SCHEMBL8080887 0.84 LMNA (0.44) LMNATP53SMN1; SMN2ALDH1A1MAPT
SCHEMBL8079548 0.83 ALDH1A1 (0.38) LMNATP53SMN1; SMN2C1RALDH1A1
SCHEMBL9407935 0.82 GAA (0.36) LMNASMN1; SMN2ALDH1A1CTSGCMA1
SCHEMBL8469910 0.81 LMNA (0.38) LMNATP53C1RPRSS1ALDH1A1

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