SCHEMBL8470372

SCHEMBL8470372

Cc1ccc(S(=O)(=O)N(C(=O)c2c3ccccc3[n+](C)c3ccccc23)c2ccc(CCC(=O)ON3C(=O)CCC3=O)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 5/20 0.36
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CNR2 P34972 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HSP90AA1 P07900 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
PSMB8 P28062 1/20 0.33
PSMB5 P28074 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
SCHEMBL8472099 0.97 TP53 (0.35) TP53LMNAMAPTCYP1A2CYP3A4
SCHEMBL31163692 0.93 LMNA (0.40) TP53LMNAMAPTCYP1A2CYP3A4
SCHEMBL8469774 0.89 LMNA (0.39) TP53LMNAMAPTCYP1A2CYP3A4
SCHEMBL8469537 0.89 ALDH1A1 (0.39) TP53LMNAMAPTCYP1A2CYP3A4
SCHEMBL8469910 0.89 LMNA (0.38) TP53LMNAMAPTCYP1A2CYP3A4
Trifluoromethanesulfonic Acid SCHEMBL4426555 0.87 ALDH1A1 (0.37) TP53LMNAMAPTCYP1A2CYP3A4
SCHEMBL8469304 0.85 TSHR (0.39) TP53LMNAMAPTGAAALDH1A1
SCHEMBL8469668 0.84 ALDH1A1 (0.37) TP53LMNAMAPTCYP1A2CYP3A4
SCHEMBL8470361 0.83 LMNA (0.41) TP53LMNAMAPTCYP1A2CYP3A4
SCHEMBL13433231 0.81 ALDH1A1 (0.38) TP53LMNAMAPTCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6002007-A Special chemiluminescent acridine derivatives and the use thereof in luminescence immunoassays DADE BEHRING MARBURG GMBH (DE) 1999-12-14 US disclosed