SCHEMBL6604041

SCHEMBL6604041

COc1cc(C2=NN(C(=O)c3ccc(NC(=O)c4sc(C)nc4C)cc3)CCC2)ccc1S(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
PGR P06401 6/20 0.39
RAB9A P51151 5/20 0.39
NPC1 O15118 3/20 0.39
RECQL P46063 1/20 0.39
TP53 P04637 3/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
F10 P00742 1/20 0.36
MAOB P27338 1/20 0.36
RXFP1 Q9HBX9 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
SCHEMBL6604844 0.91 POLB (0.47) POLBALDH1A1MEN1KMT2AGAA
SCHEMBL6601766 0.86 POLB (0.43) POLBALDH1A1MEN1KMT2AGAA
SCHEMBL7649043 0.86 POLB (0.43) POLBALDH1A1MEN1KMT2AGAA
SCHEMBL6602179 0.85 PDE4D (0.45) POLBALDH1A1MEN1KMT2AF10
SCHEMBL6605929 0.85 ALDH1A1 (0.48) POLBALDH1A1GAAPGRMAPT
SCHEMBL6602474 0.85 ALDH1A1 (0.48) POLBALDH1A1GAAPGRMAPT
SCHEMBL6601093 0.84 ALDH1A1 (0.45) POLBALDH1A1MEN1KMT2AGAA
SCHEMBL6600023 0.83 ALDH1A1 (0.46) POLBALDH1A1GAAPGRMAPT
SCHEMBL6603127 0.83 MAPT (0.47) POLBALDH1A1MEN1KMT2AGAA
SCHEMBL144189 0.83 ALDH1A1 (0.45) POLBALDH1A1GAAPGRMAPT

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