SCHEMBL6981292

SCHEMBL6981292

O=C1Cc2cc(OC(=O)O)ccc2N1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.51
MAOB P27338 4/20 0.51
EIF2AK2 P19525 1/20 0.50
GAA P10253 7/20 0.47
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
PDK2 Q15119 1/20 0.44
EPHX2 P34913 1/20 0.44
GRIA1 P42261 2/20 0.43
CACNG8 Q8WXS5 2/20 0.43
PGR P06401 1/20 0.43
SMYD3 Q9H7B4 1/20 0.43
MAOA P21397 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
SCHEMBL28346887 0.89 GAA (0.52) AHRMAOBEIF2AK2GAAPDE3B
SCHEMBL3155781 0.87 EIF2AK2 (0.68) AHRMAOBEIF2AK2PDE3BPDE3A
SCHEMBL27691373 0.86 MAOB (0.50) AHRMAOBEIF2AK2GAAPDE3B
SCHEMBL6980695 0.83 GAA (0.48) AHRMAOBEIF2AK2GAAPDE3B
SCHEMBL11515388 0.82 MAOB (0.50) AHRMAOBEIF2AK2GAAPDE3B
SCHEMBL27805290 0.81 MAOB (0.49) AHRMAOBEIF2AK2GAAPDE3B
SCHEMBL10828352 0.81 AHR (0.51) AHRMAOBEIF2AK2GAAPDE3B
SCHEMBL20214 0.78 PDE3B (0.66) AHRMAOBEIF2AK2GAAPDE3B
SCHEMBL31040124 0.78 PDE3B (0.66) AHRMAOBEIF2AK2GAAPDE3B
SCHEMBL7257831 0.78 MAOB (0.46) AHRMAOBEIF2AK2GAAPDE3B

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
EP-0344634-B1 Bicyclic carboxamides, process for their preparation and medicaments containing them BOEHRINGER MANNHEIM GMBH (DE) 1994-03-30 EP claimed
EP-0344634-A1 Bicyclic carboxamides, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1989-12-06 EP claimed
EP-1071665-B1 SUBSTITUTED INDOLINONES HAVING AN INHIBITING EFFECT ON KINASES AND CYCLINE/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA (DE) 2003-10-01 EP disclosed
EP-1071665-A1 SUBSTITUTED INDOLINONES HAVING AN INHIBITING EFFECT ON KINASES AND CYCLINE/CDK COMPLEXES Boehringer Ingelheim Pharma KG (DE) 2001-01-31 EP disclosed
WO-1999052869-A1 SUBSTITUTED INDOLINONES HAVING AN INHIBITING EFFECT ON KINASES AND CYCLINE/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-10-21 WO disclosed
EP-0344634-B1 Bicyclic carboxamides, process for their preparation and medicaments containing them BOEHRINGER MANNHEIM GMBH (DE) 1994-03-30 EP disclosed
EP-0344634-A1 Bicyclic carboxamides, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1989-12-06 EP disclosed