SCHEMBL8538637

SCHEMBL8538637

Cc1cc(S(=O)(=O)C2CCCC2C)c([N+](=O)[O-])cc1C(=O)Cl

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MCOLN3 Q8TDD5 2/20 0.34
ACHE P22303 1/20 0.34
THRB P10828 5/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
THRA P10827 1/20 0.32
VCAM1 P19320 2/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL8540504 0.88 ACHE (0.33) MAPTHTTSMN1; SMN2MCOLN3ACHE
SCHEMBL8543171 0.86 TXNRD1 (0.39) MAPTHTTSMN1; SMN2MCOLN3ACHE
SCHEMBL27375865 0.86 MAPT (0.34) MAPTHTTSMN1; SMN2MCOLN3ACHE
SCHEMBL6932471 0.84 SLC9A1 (0.46)
SCHEMBL8542221 0.83 TXNRD1 (0.41) MAPTHTTSMN1; SMN2MCOLN3THRB
SCHEMBL8542808 0.83 TXNRD1 (0.37) MAPTHTTSMN1; SMN2MCOLN3ALDH1A1
SCHEMBL8538162 0.82 TXNRD1 (0.41) MAPTHTTSMN1; SMN2THRBALDH1A1
SCHEMBL8538600 0.82 TXNRD1 (0.41) MAPTHTTSMN1; SMN2THRBALDH1A1
SCHEMBL8542782 0.81 SLC9A1 (0.40)
SCHEMBL8541311 0.78 TAS1R3 (0.34)

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