SCHEMBL6604844

SCHEMBL6604844

COc1ccc(C2=NN(C(=O)c3ccc(NC(=O)c4sc(C)nc4C)cc3)CCC2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MAOB P27338 1/20 0.46
RAB9A P51151 4/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
GAA P10253 1/20 0.43
PLAU P00749 1/20 0.43
PGR P06401 3/20 0.43
NPC1 O15118 2/20 0.42
RECQL P46063 1/20 0.42
CFTR P13569 3/20 0.42
USP2 O75604 1/20 0.41
PIM1 P11309 2/20 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
SCHEMBL6601766 0.94 POLB (0.43) POLBALDH1A1MAOBRAB9AMAPT
SCHEMBL7649043 0.93 POLB (0.43) POLBALDH1A1MAOBRAB9AMAPT
SCHEMBL6602179 0.92 PDE4D (0.45) POLBALDH1A1KMT2AMEN1
SCHEMBL6600682 0.91 RAB9A (0.46) POLBALDH1A1MAOBRAB9AMAPT
SCHEMBL6604041 0.91 POLB (0.43) POLBALDH1A1MAOBRAB9AMAPT
SCHEMBL6601658 0.86 KMT2A (0.49) POLBALDH1A1MAOBRAB9AMAPT
SCHEMBL6601052 0.85 RAB9A (0.42) POLBALDH1A1MAOBRAB9AMAPT
SCHEMBL6604062 0.85 MAPT (0.48) POLBALDH1A1RAB9AMAPTKMT2A
SCHEMBL6602668 0.84 PDE5A (0.47) POLBALDH1A1RAB9AKMT2AMEN1
SCHEMBL6602606 0.83 MAOB (0.55) POLBALDH1A1MAOBMAPTKMT2A

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