SCHEMBL8978983

SCHEMBL8978983

CCCCCNc1cc(NS(C)(=O)=O)c(OC2CCCCC2)cc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.60
MAPT P10636 6/20 0.60
PTGS2 P35354 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
ALDH1A1 P00352 2/20 0.60
MEN1 O00255 1/20 0.60
PTGES O14684 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
ALOX15 P16050 1/20 0.60
TSHR P16473 1/20 0.60
PTGS1 P23219 1/20 0.60
CYP2C19 P33261 1/20 0.60
KMT2A Q03164 1/20 0.60
POLB P06746 2/20 0.43
PKM P14618 1/20 0.43
HCAR3 P49019 1/20 0.42
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41

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 0.85 CYP19A1 (0.53) CYP19A1MAPTPTGS2SMN1; SMN2ALDH1A1
SCHEMBL8979070 0.84 CYP19A1 (0.55) CYP19A1MAPTPTGS2SMN1; SMN2ALDH1A1
SCHEMBL9550836 0.84 CYP19A1 (0.65) CYP19A1MAPTPTGS2SMN1; SMN2ALDH1A1
SCHEMBL9617997 0.81 CYP19A1 (0.66) CYP19A1MAPTPTGS2SMN1; SMN2ALDH1A1
SCHEMBL8979118 0.80 CYP19A1 (0.65) CYP19A1MAPTPTGS2SMN1; SMN2ALDH1A1
SCHEMBL9559066 0.78 CYP19A1 (0.55) CYP19A1MAPTPTGS2SMN1; SMN2ALDH1A1
SCHEMBL8979019 0.78 PTGS2 (0.49) CYP19A1MAPTPTGS2SMN1; SMN2ALDH1A1
Ns-398 SCHEMBL29368077 0.75 CYP19A1 (1.00) CYP19A1MAPTPTGS2SMN1; SMN2ALDH1A1
Ns-398 SCHEMBL214213 0.75 CYP19A1 (1.00) CYP19A1MAPTPTGS2SMN1; SMN2ALDH1A1
SCHEMBL9504767 0.75 CYP19A1 (1.00) CYP19A1MAPTPTGS2SMN1; SMN2ALDH1A1

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