SCHEMBL8979019

SCHEMBL8979019

CCCCCNc1ccc(OC2CCCCC2)c(NS(C)(=O)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.49
CYP19A1 P11511 3/20 0.48
MEN1 O00255 1/20 0.48
PTGES O14684 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
PTGS1 P23219 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PDE4A P27815 2/20 0.41
BRD4 O60885 3/20 0.41
EP300 Q09472 1/20 0.41
CNR2 P34972 2/20 0.40
RORC P51449 1/20 0.39

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
SCHEMBL8979006 0.83 ALDH1A1 (0.53) PTGS2CYP19A1MEN1PTGESALDH1A1
Propylamine SCHEMBL8942567 0.79 RORC (0.48) PTGS2CYP19A1MEN1PTGESALDH1A1
SCHEMBL8978983 0.78 CYP19A1 (0.60) PTGS2CYP19A1MEN1PTGESALDH1A1
SCHEMBL8942563 0.78 RORC (0.47) PTGS2CYP19A1MEN1PTGESALDH1A1
SCHEMBL8979023 0.76 PTGS2 (0.57) PTGS2CYP19A1MEN1PTGESALDH1A1
SCHEMBL8942579 0.75 MEN1 (0.47) PTGS2CYP19A1MEN1PTGESALDH1A1
SCHEMBL8523784 0.73 PTGS1 (0.61) PTGS2CYP19A1MEN1PTGESALDH1A1
SCHEMBL9235400 0.72 PTGS2 (0.46) PTGS2CYP19A1MEN1PTGESALDH1A1
SCHEMBL8942521 0.72 CYP19A1 (0.82) PTGS2CYP19A1MEN1PTGESALDH1A1
SCHEMBL11935716 0.71 CARM1 (0.38) MAPTPDE4ARORCPDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641774-B1 5-AMINOSULFONANILIDE COMPOUND TAISHO PHARMACEUTICAL CO LTD (JP) 1996-05-08 EP disclosed
EP-0641774-A1 5-AMINOSULFONANILIDE COMPOUND TAISHO PHARMACEUTICAL CO. LTD (JP) 1995-03-08 EP disclosed
US-5374764-A Antiinflammatory agens, antipyretics, analgesics and antiallergens TAISHO PHARMACEUTICAL CO., LTD. (JP) 1994-12-20 US disclosed