SCHEMBL8979118

SCHEMBL8979118

CS(=O)(=O)Nc1cc(N)c([N+](=O)[O-])cc1OC1CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.65
MEN1 O00255 6/20 0.65
KMT2A Q03164 6/20 0.65
MAPT P10636 5/20 0.65
PTGS2 P35354 3/20 0.65
ALDH1A1 P00352 2/20 0.65
CYP1A2 P05177 2/20 0.65
CYP3A4 P08684 2/20 0.65
TSHR P16473 2/20 0.65
PTGS1 P23219 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
PTGES O14684 1/20 0.65
CYP2D6 P10635 1/20 0.65
ALOX15 P16050 1/20 0.65
CYP2C19 P33261 1/20 0.65
PDE5A O76074 1/20 0.39
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.37
SCN9A Q15858 1/20 0.36
NPC1 O15118 1/20 0.35

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
SCHEMBL9617997 0.87 CYP19A1 (0.66) CYP19A1MEN1KMT2AMAPTPTGS2
SCHEMBL9550836 0.86 CYP19A1 (0.65) CYP19A1MEN1KMT2AMAPTPTGS2
SCHEMBL8978983 0.80 CYP19A1 (0.60) CYP19A1MEN1KMT2AMAPTPTGS2
SCHEMBL8942521 0.79 CYP19A1 (0.82) CYP19A1MEN1KMT2AMAPTPTGS2
SCHEMBL9504767 0.79 CYP19A1 (1.00) CYP19A1MEN1KMT2AMAPTPTGS2
Ns-398 SCHEMBL29368077 0.79 CYP19A1 (1.00) CYP19A1MEN1KMT2AMAPTPTGS2
Ns-398 SCHEMBL214213 0.79 CYP19A1 (1.00) CYP19A1MEN1KMT2AMAPTPTGS2
SCHEMBL8979070 0.78 CYP19A1 (0.55) CYP19A1MEN1KMT2AMAPTPTGS2
SCHEMBL9559066 0.78 CYP19A1 (0.55) CYP19A1MEN1KMT2AMAPTPTGS2
Ns-398 SCHEMBL9505633 0.78 CYP19A1 (0.98) CYP19A1MEN1KMT2AMAPTPTGS2

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