SCHEMBL5386714

SCHEMBL5386714

Cc1cc(I)ccc1Nc1ccccc1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.50
CLCN2 P51788 1/20 0.50
MAPK13 O15264 1/20 0.48
MAPK12 P53778 1/20 0.48
MAPK11 Q15759 1/20 0.48
MAPK14 Q16539 1/20 0.48
SIRT2 Q8IXJ6 7/20 0.48
MAP2K1 Q02750 3/20 0.47
MAP2K2 P36507 2/20 0.47
SIRT1 Q96EB6 3/20 0.47
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
FTO Q9C0B1 1/20 0.44
FABP4 P15090 1/20 0.43
MEN1 O00255 1/20 0.43
AKR1B10 O60218 1/20 0.43
TRPA1 O75762 1/20 0.43
ABCB11 O95342 1/20 0.43

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
SCHEMBL5677981 0.87 IDO1 (0.61) IDO1HPGDFTOFABP4MEN1
SCHEMBL5680872 0.83 ALDH1A1 (0.57) IDO1CLCN2MAP2K1MAP2K2ALDH1A1
SCHEMBL7715685 0.83 IDO1 (0.48) IDO1MAPK13MAPK12MAPK11MAPK14
SCHEMBL5676362 0.83 IDO1 (0.48) IDO1MAP2K1MAP2K2ALDH1A1HPGD
SCHEMBL4642709 0.82 CLCN2 (0.59) CLCN2MAPK13MAPK12MAPK11MAPK14
SCHEMBL27469367 0.82 IDO1 (0.45) IDO1MAPK13MAPK12MAPK11MAPK14
SCHEMBL4748692 0.82 MAP2K1 (0.63) MAP2K1MAP2K2
SCHEMBL30172477 0.82 MAP2K1 (0.63) MAP2K1MAP2K2
SCHEMBL5677713 0.82 IDO1 (0.47) IDO1MAPK13MAPK12MAPK11MAPK14
SCHEMBL27492881 0.82 IDO1 (0.47) IDO1MAPK13MAPK12MAPK11MAPK14

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003504400-A 2003-02-04 JP claimed
CN-1383823-A Methods of treating or inhibiting neutrophil chemotaxis by administering MEK inhibitors WARNER LAMBERT CO (US) 2002-12-11 CN claimed
JP-2002532415-A 2002-10-02 JP claimed
EP-1202726-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-05-08 EP claimed
EP-1143957-A3 TREATMENT OF ARTHRITIS WITH MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-02-27 EP claimed
EP-1143957-A2 TREATMENT OF ARTHRITIS WITH MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-10-17 EP claimed
EP-1140067-A1 ANTIVIRAL METHOD USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-10-10 EP claimed
EP-1140291-A1 COMBINATION CHEMOTHERAPY COMPRISING A MITOTIC INHIBITOR AND A MEK INHIBITOR WARNER-LAMBERT COMPANY LLC (US) 2001-10-10 EP claimed
WO-2001005392-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 WO claimed
WO-2000037141-A9 COMBINATION CHEMOTHERAPY WARNER LAMBERT CO (US) 2000-12-07 WO claimed
WO-2000040237-A1 ANTIVIRAL METHOD USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-07-13 WO claimed
WO-2000037141-A1 COMBINATION CHEMOTHERAPY WARNER-LAMBERT COMPANY (US) 2000-06-29 WO claimed
WO-2000035436-A2 TREATMENT OF ARTHRITIS WITH MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-06-22 WO claimed
EP-0993439-A1 4-BROMO OR 4-IODO PHENYLAMINO BENZHYDROXAMIC ACID DERIVATIVES AND THEIR USE AS MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-04-19 EP claimed
WO-1999001426-A1 4-BROMO OR 4-IODO PHENYLAMINO BENZHYDROXAMIC ACID DERIVATIVES AND THEIR USE AS MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 1999-01-14 WO claimed
WO-1998037881-A1 METHOD OF TREATING OR PREVENTING SEPTIC SHOCK BY ADMINISTERING A MEK INHIBITOR WARNER LAMBERT COMPANY (US) 1998-09-03 WO claimed
US-7169816-B2 4-bromo or 4-iodo phenylamino benzhydroxamic acid derivatives and their use as MEK inhibitors WARNER-LAMBERT COMPANY (US) 2007-01-30 US disclosed
US-7019033-B2 2-(4-bromo or 4-iodo phenylamino) benzoic acid derivatives WARNER-LAMBERT COMPANY (US) 2006-03-28 US disclosed
WO-1999001421-A1 2-(4-BROMO OR 4-IODO PHENYLAMINO) BENZOIC ACID DERIVATIVES AND THEIR USE AS MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 1999-01-14 WO disclosed
WO-1998037881-A1 METHOD OF TREATING OR PREVENTING SEPTIC SHOCK BY ADMINISTERING A MEK INHIBITOR WARNER LAMBERT COMPANY (US) 1998-09-03 WO disclosed