SCHEMBL302594

SCHEMBL302594

Cc1ccc(C(N)=O)c(-n2ccnn2)c1-n1ccnn1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 7/20 0.40
HCRTR2 O43614 7/20 0.40
NOTUM Q6P988 5/20 0.40
SIRT3 Q9NTG7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
NNMT P40261 1/20 0.33
CDC7 O00311 1/20 0.33
PKMYT1 Q99640 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL17910085 0.87 HCRTR1 (0.52) HCRTR1HCRTR2NOTUMSIRT3TDP1
SCHEMBL5790840 0.86 NOTUM (0.41) HCRTR1HCRTR2NOTUMALDH1A1
SCHEMBL15520028 0.78 NOTUM (0.50) NOTUMSIRT3TDP1MAPK9MAPK10
SCHEMBL302445 0.76 MAPK9 (0.41) HCRTR1HCRTR2NOTUMMAPK9MAPK10
SCHEMBL19554755 0.75 PARP1 (0.40) HCRTR1HCRTR2NOTUMMAPK9MAPK10
SCHEMBL2355558 0.75 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL302595 0.75 NOTUM (0.46) HCRTR1HCRTR2NOTUMMAPK9MAPK10
SCHEMBL27883266 0.74 HCRTR1 (0.54) HCRTR1HCRTR2NOTUMALDH1A1
SCHEMBL1586907 0.73 HCRTR1 (0.53) HCRTR1HCRTR2NOTUMTDP1ALDH1A1
SCHEMBL12505790 0.72 NOTUM (0.32) HCRTR1HCRTR2NOTUMMAPK9MAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4850824-B2 2012-01-11 JP claimed
EP-1725544-A1 3-[4-HETEROCYCLYL-1,2,3-TRIAZOL-1-YL]-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-11-29 EP claimed
WO-2005090333-A1 3-‘4-HETEROCYCLYL -1,2,3,-TRIAZOL-1-YL!-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-29 WO claimed
EP-1567507-A1 1,2,3- TRIAZOLE AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-08-31 EP claimed
WO-2004050642-A1 1, 2, 3- TRIAZOLE AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-06-17 WO claimed
EP-1567507-A1 1,2,3- TRIAZOLE AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-08-31 EP disclosed
WO-2004050642-A1 1, 2, 3- TRIAZOLE AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-06-17 WO disclosed