SCHEMBL6605418

SCHEMBL6605418

COc1cc(C2=NN(C(=O)c3ccc(NC(=O)c4ccno4)cc3)CCC2)ccc1S(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
POLB P06746 1/20 0.42
PGR P06401 11/20 0.40
RORC P51449 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
MAOB P27338 1/20 0.37
CFTR P13569 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL6601439 0.90 MAOB (0.47) ALDH1A1POLBPGRGAAMAPT
SCHEMBL6606068 0.88 HTT (0.46) ALDH1A1POLBGAAMAPTMEN1
SCHEMBL6601093 0.87 ALDH1A1 (0.45) ALDH1A1POLBPGRGAAMAPT
SCHEMBL6600023 0.86 ALDH1A1 (0.46) ALDH1A1POLBPGRGAAMAPT
SCHEMBL6605929 0.86 ALDH1A1 (0.48) ALDH1A1POLBPGRGAAMAPT
SCHEMBL6602474 0.86 ALDH1A1 (0.48) ALDH1A1POLBPGRGAAMAPT
SCHEMBL6601713 0.86 ALDH1A1 (0.42) ALDH1A1POLBPGRGAAMAPT
SCHEMBL7647347 0.86 ALDH1A1 (0.42) ALDH1A1POLBPGRGAAMEN1
SCHEMBL6602252 0.85 ALDH1A1 (0.47) ALDH1A1POLBPGRGAAMAPT
SCHEMBL6602175 0.85 PDE4D (0.47) ALDH1A1POLB

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