SCHEMBL8942456

SCHEMBL8942456

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.52
MAPT P10636 4/20 0.52
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
MAPK1 P28482 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C9 P11712 2/20 0.52
ADORA3 P0DMS8 2/20 0.52
PTGS1 P23219 2/20 0.52
KDM4E B2RXH2 2/20 0.52
CYP19A1 P11511 2/20 0.52
MLNR O43193 1/20 0.52
LMNA P02545 1/20 0.52
MMP1 P03956 1/20 0.52
MPO P05164 1/20 0.52
GLA P06280 1/20 0.52
CYP3A4 P08684 1/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
TBXA2R P21731 1/20 0.52

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
Hydrochloric Acid SCHEMBL8942296 0.99 SMN1; SMN2 (0.51) SMN1; SMN2MAPTKMT2AMEN1MAPK1
SCHEMBL8942502 0.94 KMT2A (0.50) SMN1; SMN2MAPTKMT2AMEN1MAPK1
Hydrochloric Acid SCHEMBL8942537 0.94 KMT2A (0.49) SMN1; SMN2MAPTKMT2AMEN1MAPK1
SCHEMBL8942209 0.93 MAPT (0.53) SMN1; SMN2MAPTKMT2AMEN1MAPK1
SCHEMBL8942431 0.89 SMN1; SMN2 (0.54) SMN1; SMN2MAPTKMT2AMEN1MAPK1
SCHEMBL8942460 0.87 MAPT (0.56) SMN1; SMN2MAPTKMT2AMEN1MAPK1
SCHEMBL8942347 0.86 MAPT (0.55) SMN1; SMN2MAPTKMT2AMEN1MAPK1
Hydrochloric Acid SCHEMBL8942526 0.85 MAPT (0.54) SMN1; SMN2MAPTKMT2AMEN1MAPK1
SCHEMBL9574619 0.84 SMN1; SMN2 (0.60) SMN1; SMN2MAPTKMT2AMEN1MAPK1
Propylamine SCHEMBL8942462 0.84 CYP19A1 (0.53) SMN1; SMN2MAPTKMT2AMEN1MAPK1

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