SCHEMBL9561587

SCHEMBL9561587

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.57
MAPT P10636 4/20 0.57
PTGS1 P23219 3/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
CYP19A1 P11511 3/20 0.57
MAPK1 P28482 3/20 0.57
CYP1A2 P05177 2/20 0.57
CYP2C9 P11712 2/20 0.57
PTGS2 P35354 2/20 0.57
LMNA P02545 2/20 0.57
ADORA3 P0DMS8 2/20 0.57
KDM4E B2RXH2 1/20 0.57
MLNR O43193 1/20 0.57
MMP1 P03956 1/20 0.57
MPO P05164 1/20 0.57
GLA P06280 1/20 0.57
CYP3A4 P08684 1/20 0.57
HPGD P15428 1/20 0.57
TSHR P16473 1/20 0.57

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
SCHEMBL9574619 0.91 SMN1; SMN2 (0.60) SMN1; SMN2MAPTPTGS1MEN1KMT2A
SCHEMBL8942460 0.86 MAPT (0.56) SMN1; SMN2MAPTPTGS1MEN1KMT2A
SCHEMBL8942347 0.85 MAPT (0.55) SMN1; SMN2MAPTPTGS1MEN1KMT2A
SCHEMBL9012618 0.85 CYP19A1 (0.51) SMN1; SMN2MAPTPTGS1MEN1KMT2A
Propylamine SCHEMBL8942462 0.85 CYP19A1 (0.53) SMN1; SMN2MAPTPTGS1MEN1KMT2A
SCHEMBL8942431 0.85 SMN1; SMN2 (0.54) SMN1; SMN2MAPTPTGS1MEN1KMT2A
Hydrochloric Acid SCHEMBL8942526 0.85 MAPT (0.54) SMN1; SMN2MAPTPTGS1MEN1KMT2A
Propylamine SCHEMBL8942300 0.84 CYP19A1 (0.52) SMN1; SMN2MAPTPTGS1MEN1KMT2A
SCHEMBL8942209 0.83 MAPT (0.53) SMN1; SMN2MAPTPTGS1MEN1KMT2A
Butylamine SCHEMBL8942510 0.83 MAPT (0.50) SMN1; SMN2MAPTPTGS1MEN1KMT2A

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
JP-5262718-A None JP disclosed
JP-H05262718-A 5-SUBSTITUTED AMINO-2-PHENOXYSULFONAMIDE COMPOUND TAISHO PHARMACEUT CO LTD 1993-10-12 JP disclosed