SCHEMBL8979070

SCHEMBL8979070

CCCC(=O)Nc1cc(NS(C)(=O)=O)c(OC2CCCCC2)cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.55
ALDH1A1 P00352 3/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
PTGS2 P35354 2/20 0.55
MAPT P10636 2/20 0.55
PTGES O14684 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
PTGS1 P23219 1/20 0.55
CYP2C19 P33261 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
PDE5A O76074 1/20 0.40
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL8978970 0.94 CYP19A1 (0.53) CYP19A1ALDH1A1MEN1KMT2APTGS2
SCHEMBL9559066 0.89 CYP19A1 (0.55) CYP19A1ALDH1A1MEN1KMT2APTGS2
SCHEMBL8978983 0.84 CYP19A1 (0.60) CYP19A1ALDH1A1MEN1KMT2APTGS2
SCHEMBL9550836 0.82 CYP19A1 (0.65) CYP19A1ALDH1A1MEN1KMT2APTGS2
SCHEMBL9617997 0.79 CYP19A1 (0.66) CYP19A1ALDH1A1MEN1KMT2APTGS2
SCHEMBL8979118 0.78 CYP19A1 (0.65) CYP19A1ALDH1A1MEN1KMT2APTGS2
SCHEMBL8979006 0.73 ALDH1A1 (0.53) CYP19A1ALDH1A1MEN1KMT2APTGS2
SCHEMBL9504767 0.71 CYP19A1 (1.00) CYP19A1ALDH1A1MEN1KMT2APTGS2
Ns-398 SCHEMBL29368077 0.71 CYP19A1 (1.00) CYP19A1ALDH1A1MEN1KMT2APTGS2
Ns-398 SCHEMBL214213 0.71 CYP19A1 (1.00) CYP19A1ALDH1A1MEN1KMT2APTGS2

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