SCHEMBL6601547

SCHEMBL6601547

CCOc1cc(C2=NN(C(=O)c3ccc(NC(=O)c4ncccn4)cc3)CCC2)ccc1OC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
POLB P06746 2/20 0.47
CFTR P13569 6/20 0.43
MAOB P27338 1/20 0.43
PGR P06401 5/20 0.43
GAA P10253 1/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL6604008 0.94 ALDH1A1 (0.51) ALDH1A1POLBCFTRMAOBPGR
SCHEMBL6600779 0.92 NPC1 (0.49) ALDH1A1POLBCFTRPGRLMNA
SCHEMBL6601223 0.92 ALDH1A1 (0.44) ALDH1A1POLBCFTRMAOBPGR
SCHEMBL6587589 0.91 ALDH1A1 (0.52) ALDH1A1POLBMAOBPGRLMNA
SCHEMBL6601230 0.90 HTT (0.47) ALDH1A1POLBCFTRMAOBGAA
Hydrochloric Acid SCHEMBL7646217 0.89 HTT (0.47) ALDH1A1POLBCFTRMAOBGAA
SCHEMBL6582201 0.89 GAA (0.51) ALDH1A1POLBMAOBPGRGAA
SCHEMBL6581784 0.89 ALDH1A1 (0.55) ALDH1A1POLBCFTRMAOBLMNA
SCHEMBL6604612 0.89 MAOB (0.49) ALDH1A1POLBMAOBPGRGAA
SCHEMBL6601851 0.89 ALDH1A1 (0.48) ALDH1A1POLBCFTRMAOBPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0922036-B1 ARYLALKANOYL PYRIDAZINES MERCK PATENT GMBH (DE) 2004-03-24 EP disclosed
US-6479494-B1 THEY INHIBIT SELECTIVELY PHOSPHODIESTERASE IV, WHICH CAUSES AN INCREASE OF THE INTRACELLULAR CAMP LEVEL AS CAMP INHIBITS BONE DECREASING CELLS AND STIMULATES BONE INCREASING CELLS FOR TREATMENT OF OSTEOPOROSIS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2002-11-12 US disclosed
EP-1143944-A3 USE OF ARYLALKANOYLPYRIDAZINES MERCK PATENT GmbH (DE) 2002-09-11 EP disclosed
EP-1143944-A2 USE OF ARYLALKANOYLPYRIDAZINES MERCK PATENT GmbH (DE) 2001-10-17 EP disclosed
WO-2000059484-A2 USE OF ARYLALKANOYLPYRIDAZINES MERCK PATENT GMBH (DE) 2000-10-12 WO disclosed
US-6107295-A Arylalkanoyl pyridazines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-22 US disclosed
EP-0922036-A1 ARYLALKANOYL PYRIDAZINES MERCK PATENT GmbH (DE) 1999-06-16 EP disclosed
WO-1998006704-A1 ARYLALKANOYL PYRIDAZINES MERCK PATENT GMBH (DE) 1998-02-19 WO disclosed