SCHEMBL8540504

SCHEMBL8540504

CCc1cc(S(=O)(=O)C2CCCC2C)c([N+](=O)[O-])cc1C(=O)Cl

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.33
MAPT P10636 4/20 0.33
THRB P10828 5/20 0.32
HTT P42858 4/20 0.32
ALDH1A1 P00352 4/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDK1 Q15118 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
THRA P10827 1/20 0.32
MCOLN3 Q8TDD5 2/20 0.32
VCAM1 P19320 1/20 0.31
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
PKM P14618 1/20 0.31
POLB P06746 1/20 0.31
PPARG P37231 1/20 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
SCHEMBL8538637 0.88 MAPT (0.35) ACHEMAPTTHRBHTTALDH1A1
SCHEMBL8543278 0.87 TXNRD1 (0.38) ACHEMAPTTHRBHTTALDH1A1
SCHEMBL27358000 0.86 ALDH1A1 (0.33) ACHEMAPTTHRBHTTALDH1A1
SCHEMBL8538802 0.85 TXNRD1 (0.40) MAPTTHRBHTTALDH1A1LMNA
SCHEMBL8542635 0.85 TXNRD1 (0.36) MAPTTHRBHTTALDH1A1LMNA
SCHEMBL6935106 0.84 SLC9A1 (0.36)
SCHEMBL8542948 0.84 TXNRD1 (0.39) MAPTTHRBHTTALDH1A1LMNA
SCHEMBL8537187 0.84 TXNRD1 (0.39) MAPTTHRBHTTALDH1A1LMNA
SCHEMBL8542680 0.81 TAS1R3 (0.31)
SCHEMBL8539018 0.79 TAS1R3 (0.31)

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-5744641-A Sulfonyl- or sulfinylbenzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-04-28 US disclosed