SCHEMBL4969287

SCHEMBL4969287

O=[N+]([O-])c1ccc2cc(Br)[nH]c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
GRIA1 P42261 2/20 0.51
GRIA2 P42262 2/20 0.51
GRIA3 P42263 2/20 0.51
GRIA4 P48058 2/20 0.51
LMNA P02545 2/20 0.51
CYP3A4 P08684 2/20 0.51
ALOX15 P16050 1/20 0.51
NOS1 P29475 1/20 0.51
ALDH1A1 P00352 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
HRH4 Q9H3N8 1/20 0.47
NPC1 O15118 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
CASP3 P42574 1/20 0.46
HTT P42858 1/20 0.46
MMP13 P45452 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL10172985 0.86 CYP19A1 (0.58) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL3588993 0.81 GRIA1 (0.60) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL5150341 0.79 MAPT (0.51) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL1630724 0.79 MAPT (0.51) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL4427396 0.76 GRIA1 (0.58) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL11997383 0.76 CYP2A6 (0.51) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL397992 0.76 MAPT (0.49) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL4885975 0.75 MAPT (0.47) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL9053698 0.75 NPBWR1 (0.52) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL7257404 0.75 GRIA1 (0.60) MAPTGRIA1GRIA2GRIA3GRIA4

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-1979314-A2 INDOLE SULFONAMIDE MODULATORS OF PROGESTERONE RECEPTORS Eli Lilly & Company (US) 2008-10-15 EP disclosed
WO-2007087488-A9 INDOLE SULFONAMIDE MODULATORS OF PROGESTERONE RECEPTORS LILLY CO ELI (US) 2008-08-28 WO disclosed
WO-2007087488-A2 INDOLE SULFONAMIDE MODULATORS OF PROGESTERONE RECEPTORS ELI LILLY AND COMPANY (US) 2007-08-02 WO disclosed