SCHEMBL25955571

SCHEMBL25955571

COc1ccc(C(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
APP P05067 1/20 0.50
KMT2A Q03164 6/20 0.49
LMNA P02545 4/20 0.48
MEN1 O00255 4/20 0.48
ALDH1A1 P00352 2/20 0.48
POLB P06746 2/20 0.48
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX12 P18054 1/20 0.45
ATM Q13315 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
KCNJ1 P48048 1/20 0.45
KCNH2 Q12809 1/20 0.45
NPC1 O15118 1/20 0.45

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
SCHEMBL29007592 0.81 IDO1 (0.50) KMT2ALMNAMEN1ALDH1A1POLB
SCHEMBL12391260 0.81 NPC1 (0.56) LMNAALDH1A1CA1CA2NPC1
SCHEMBL10924203 0.80 PKM (0.70) GAAAPPKMT2ALMNAMEN1
SCHEMBL25185018 0.80 CNR1 (0.57) GAAKMT2ALMNAMEN1ALDH1A1
SCHEMBL25185020 0.80 CNR1 (0.57) GAAKMT2ALMNAMEN1ALDH1A1
SCHEMBL20328414 0.80 APP (0.70) APPKMT2ALMNAMEN1ALDH1A1
SCHEMBL492221 0.80 APP (0.70) APPKMT2ALMNAMEN1ALDH1A1
SCHEMBL20328415 0.80 APP (0.70) APPKMT2ALMNAMEN1ALDH1A1
SCHEMBL18878455 0.78 GAA (0.56) GAAAPPKMT2ALMNAMEN1
SCHEMBL31096483 0.78 APP (0.68) APPKMT2ALMNAMEN1ALDH1A1

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
EP-4004080-B1 POLY(ARYLENE ETHER) COMPOSITIONS SHPP GLOBAL TECH BV (NL) 2023-08-16 EP disclosed