SCHEMBL8124240

SCHEMBL8124240

Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.66
CSNK2A1 P68400 1/20 0.62
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
GAA P10253 2/20 0.61
ALDH1A1 P00352 2/20 0.61
RAB9A P51151 2/20 0.61
MAOA P21397 6/20 0.58
MAOB P27338 6/20 0.58
VCP P55072 1/20 0.58
MGAM O43451 1/20 0.57
SI P14410 1/20 0.57
PKM P14618 1/20 0.57
MGAM2 Q2M2H8 1/20 0.57
FBP1 P09467 1/20 0.57
KDM4E B2RXH2 2/20 0.57
MAPK1 P28482 1/20 0.57
HPGD P15428 1/20 0.56
HK1 P19367 1/20 0.56
HKDC1 Q2TB90 1/20 0.56

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
SCHEMBL426369 1.00 MAPT (0.66) MAPTCSNK2A1MEN1KMT2AGAA
Hydrochloric Acid SCHEMBL8356902 0.98 MAPT (0.64) MAPTCSNK2A1MEN1KMT2AGAA
Bromide SCHEMBL8360677 0.98 MAPT (0.68) MAPTCSNK2A1MEN1KMT2AGAA
SCHEMBL29654068 0.93 MAPT (0.58) MAPTCSNK2A1MEN1KMT2AGAA
SCHEMBL25247614 0.85 CSNK2A1 (0.62) MAPTCSNK2A1MEN1KMT2AGAA
SCHEMBL1806545 0.84 CSNK2A1 (0.61) MAPTCSNK2A1MEN1KMT2AGAA
SCHEMBL30480033 0.84 CSNK2A1 (0.61) MAPTCSNK2A1MEN1KMT2AGAA
SCHEMBL7093116 0.84 CSNK2A1 (0.61) MAPTCSNK2A1MEN1KMT2AGAA
SCHEMBL30294205 0.83 CSNK2A1 (0.71) MAPTCSNK2A1MEN1KMT2AGAA
SCHEMBL7444589 0.82 CSNK2A1 (0.59) MAPTCSNK2A1MEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1034176-A1 THIOPHENE-SULFONAMIDE COMPOUNDS PHARMACIA & UPJOHN S.p.A. (IT) 2000-09-13 EP claimed
WO-1999028316-A1 THIOPHENE-SULFONAMIDE COMPOUNDS PHARMACIA & UPJOHN S.P.A. (IT) 1999-06-10 WO claimed
EP-1034176-A1 THIOPHENE-SULFONAMIDE COMPOUNDS PHARMACIA & UPJOHN S.p.A. (IT) 2000-09-13 EP disclosed
WO-1999028316-A1 THIOPHENE-SULFONAMIDE COMPOUNDS PHARMACIA & UPJOHN S.P.A. (IT) 1999-06-10 WO disclosed
CN-1176101-A N -(4 -aryl -thiazol -2 -yl) -sulphonamide derivatives and their use HOFFMANN LA ROCHE (CH) 1998-03-18 CN disclosed