SCHEMBL5022935

SCHEMBL5022935

O=[N+]([O-])c1cccnc1Nc1ccc(O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.68
RAB9A P51151 4/20 0.62
NPC1 O15118 3/20 0.62
MAPK1 P28482 2/20 0.62
NFKB1 P19838 1/20 0.62
NFKB2 Q00653 1/20 0.62
RELA Q04206 1/20 0.62
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
PKM P14618 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
GAA P10253 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 1/20 0.49
GUCY1B2 O75343 1/20 0.49
GUCY1A2 P33402 1/20 0.49
GUCY1A1 Q02108 1/20 0.49
GUCY1B1 Q02153 1/20 0.49

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
SCHEMBL2177925 0.86 MAPT (0.69) MAPTRAB9ANPC1MAPK1NFKB1
SCHEMBL14465239 0.85 MAPT (0.61) MAPTRAB9ANPC1MAPK1NFKB1
SCHEMBL29241859 0.85 MAPT (0.68) MAPTRAB9ANPC1MAPK1NFKB1
SCHEMBL10815946 0.85 MAPT (0.68) MAPTRAB9ANPC1MAPK1NFKB1
SCHEMBL10812183 0.85 MAPT (0.68) MAPTRAB9ANPC1MAPK1NFKB1
SCHEMBL2177712 0.85 MAPT (0.68) MAPTRAB9ANPC1MAPK1NFKB1
SCHEMBL11435594 0.84 MAPT (0.68) MAPTRAB9ANPC1MAPK1NFKB1
SCHEMBL12970394 0.84 MAPT (0.64) MAPTRAB9ANPC1MAPK1NFKB1
SCHEMBL20603943 0.84 MAPT (0.65) MAPTRAB9ANPC1MAPK1NFKB1
SCHEMBL30826715 0.84 MAPT (0.64) MAPTRAB9ANPC1MAPK1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449584-B2 N-(2((4-Hydroxyphenyl)amino)pyridin-3-yl)-4-methoxybenzenesulfonamide Crystalline Form 1 ABBOTT LABORATORIES INC. (US) 2008-11-11 US disclosed
US-20070099967-A1 causing nucleation in mixture with solvent between about 60 degrees C. and 100 degrees C., supersaturated; and isolating Crystalline Form 1 ABBVIE INC. 2007-05-03 US disclosed
WO-2006076511-A1 N-(2-((4-HYDROXYPHENYL)AMINO)PYRIDIN-3-YL)-4-METHOXYBENZENESULFONAMIDE CRYSTALLINE FORM 1 ABBOTT LABORATORIES (US) 2006-07-20 WO disclosed
EP-0472053-B1 Sulfonamide derivatives EISAI CO LTD (JP) 1998-06-17 EP disclosed
CN-1036650-C process for the preparation of sulfonamide derivatives EISAI CO LTD (JP) 1997-12-10 CN disclosed
US-5610304-A Pyrimidinyl or pyridinyl sulfonamide substituted compounds EISAI CO., LTD. (JP) 1997-03-11 US disclosed
US-5610320-A ANTITUMOR AGENTS EISAI CO., LTD. (JP) 1997-03-11 US disclosed
CN-1136036-A Sulfonamide derivatives EISAI CO LTD (JP) 1996-11-20 CN disclosed
US-5434172-A Antitumor EISAI CO., LTD. (JP) 1995-07-18 US disclosed
US-5332751-A Antitumor EISAI CO., LTD. (JP) 1994-07-26 US disclosed
US-5292758-A Sulfonamide derivatives EISAI CO., LTD. (JP) 1994-03-08 US disclosed
US-5250549-A Antitumor agents EISAI CO., LTD. (JP) 1993-10-05 US disclosed
CN-1059519-A Sulfonamide derivatives EISAI CO LTD (JP) 1992-03-18 CN disclosed
EP-0472053-A2 Sulfonamide derivatives Eisai Co., Ltd. (JP) 1992-02-26 EP disclosed