SCHEMBL8942431

SCHEMBL8942431

CNCC(=O)Nc1cc(NS(C)(=O)=O)c(Oc2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.54
MAPT P10636 4/20 0.54
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
CYP1A2 P05177 3/20 0.54
CYP2C9 P11712 3/20 0.54
LMNA P02545 3/20 0.54
MAPK1 P28482 2/20 0.54
CYP19A1 P11511 2/20 0.54
PTGS1 P23219 2/20 0.54
PTGS2 P35354 2/20 0.54
KDM4E B2RXH2 2/20 0.54
CYP3A4 P08684 2/20 0.54
MLNR O43193 1/20 0.54
MMP1 P03956 1/20 0.54
MPO P05164 1/20 0.54
GLA P06280 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
HPGD P15428 1/20 0.54
TSHR P16473 1/20 0.54

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
SCHEMBL8942209 0.90 MAPT (0.53) SMN1; SMN2MAPTKMT2AMEN1CYP1A2
SCHEMBL8942460 0.90 MAPT (0.56) SMN1; SMN2MAPTKMT2AMEN1CYP1A2
SCHEMBL8942456 0.89 SMN1; SMN2 (0.52) SMN1; SMN2MAPTKMT2AMEN1CYP1A2
SCHEMBL8942347 0.89 MAPT (0.55) SMN1; SMN2MAPTKMT2AMEN1CYP1A2
Hydrochloric Acid SCHEMBL8942296 0.89 SMN1; SMN2 (0.51) SMN1; SMN2MAPTKMT2AMEN1CYP1A2
Hydrochloric Acid SCHEMBL8942526 0.88 MAPT (0.54) SMN1; SMN2MAPTKMT2AMEN1CYP1A2
SCHEMBL8942502 0.88 KMT2A (0.50) SMN1; SMN2MAPTKMT2AMEN1CYP1A2
Hydrochloric Acid SCHEMBL8942537 0.87 KMT2A (0.49) SMN1; SMN2MAPTKMT2AMEN1CYP1A2
SCHEMBL9574619 0.86 SMN1; SMN2 (0.60) SMN1; SMN2MAPTKMT2AMEN1CYP1A2
SCHEMBL9561587 0.85 SMN1; SMN2 (0.57) SMN1; SMN2MAPTKMT2AMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5521311-A USEFUL AS ANTIINFLAMMATORY AGENTS, ANTIPYRETICS, ANALGESICS AND ANTI-ALLERGENIC AGENTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 1996-05-28 US disclosed
EP-0685461-A1 5-AMINOACETYLAMINOSULFONANILIDE COMPOUND TAISHO PHARMACEUTICAL CO. LTD (JP) 1995-12-06 EP disclosed