SCHEMBL6605899

SCHEMBL6605899

CCOc1cc(C2=NN(C(=O)c3cccc(NC(=O)c4ccno4)c3)CCC2)ccc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
PKM P14618 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PGR P06401 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
GAA P10253 2/20 0.40
MAOB P27338 1/20 0.39
CFTR P13569 1/20 0.39
POLB P06746 2/20 0.39
MAPK1 P28482 3/20 0.39
CASP1 P29466 1/20 0.39
PARP1 P09874 1/20 0.38

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
SCHEMBL6606976 0.94 MAOB (0.45) MAPTALDH1A1LMNAPKMNPSR1
SCHEMBL6601713 0.92 ALDH1A1 (0.42) MAPTALDH1A1LMNAPGRKMT2A
SCHEMBL6605494 0.89 MAPT (0.51) MAPTALDH1A1LMNANPSR1KMT2A
SCHEMBL6601223 0.88 ALDH1A1 (0.44) MAPTALDH1A1LMNAPKMNPSR1
SCHEMBL6601184 0.88 PDE5A (0.46) MAPTALDH1A1LMNAPKMNPSR1
SCHEMBL6600753 0.88 SMN1; SMN2 (0.44) ALDH1A1LMNAPKMNPSR1PGR
SCHEMBL6582371 0.88 NPC1 (0.49) MAPTALDH1A1LMNAPKMNPSR1
SCHEMBL6602816 0.87 NPC1 (0.48) MAPTALDH1A1LMNAPKMNPSR1
SCHEMBL6603184 0.87 MAOB (0.47) MAPTALDH1A1LMNAPKMNPSR1
SCHEMBL6562078 0.87 PGR (0.46) MAPTALDH1A1LMNAPKMNPSR1

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