SCHEMBL6601909

SCHEMBL6601909

CCOc1cc(C2=NN(C(=O)c3ccc(NC(=O)c4ccco4)cc3)CCC2)ccc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
TP53 P04637 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.49
LMNA P02545 2/20 0.49
NPSR1 Q6W5P4 3/20 0.48
TSHR P16473 3/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPK1 P28482 1/20 0.48
POLB P06746 4/20 0.48
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 6/20 0.47
HPGD P15428 5/20 0.47
HSD17B10 Q99714 3/20 0.46
RXFP1 Q9HBX9 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46

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
SCHEMBL6600737 0.94 NPSR1 (0.54) MAPTTP53SMN1; SMN2NPSR1TSHR
SCHEMBL6605494 0.92 MAPT (0.51) MAPTTP53SMN1; SMN2LMNANPSR1
SCHEMBL6604786 0.88 TSHR (0.47) MAPTTP53SMN1; SMN2NPSR1TSHR
SCHEMBL6587589 0.88 ALDH1A1 (0.52) MAPTTP53SMN1; SMN2LMNACYP2C9
SCHEMBL6601043 0.88 TSHR (0.49) MAPTTP53SMN1; SMN2LMNANPSR1
SCHEMBL6601713 0.88 ALDH1A1 (0.42) MAPTTP53SMN1; SMN2LMNAMAPK1
SCHEMBL6601547 0.87 ALDH1A1 (0.47) MAPTTP53SMN1; SMN2LMNACYP2C9
SCHEMBL6581784 0.86 ALDH1A1 (0.55) MAPTTP53SMN1; SMN2LMNACYP1A2
SCHEMBL6582201 0.86 GAA (0.51) MAPTTP53SMN1; SMN2NPSR1POLB
SCHEMBL6604612 0.86 MAOB (0.49) MAPTTP53SMN1; SMN2CYP2C9CYP2C19

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