SCHEMBL6607041

SCHEMBL6607041

CCOc1cc(C2=NN(C(=O)c3ccc(NC(=O)c4cccs4)cc3)CCC2)ccc1OC

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.52
ALDH1A1 P00352 6/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
KMT2A Q03164 10/20 0.48
MEN1 O00255 9/20 0.47
KDM4E B2RXH2 3/20 0.47
HPGD P15428 2/20 0.47
THRB P10828 1/20 0.47
RAB9A P51151 4/20 0.46
NPC1 O15118 2/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
POLB P06746 1/20 0.44
TP53 P04637 2/20 0.44
GAA P10253 1/20 0.44
BLM P54132 1/20 0.44
HTT P42858 1/20 0.44
QRFPR Q96P65 1/20 0.42

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
SCHEMBL6605728 0.94 MAPT (0.59) MAPTALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL6602172 0.92 L3MBTL1 (0.49) MAPTALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL6603998 0.88 MAPT (0.51) MAPTALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL6587589 0.88 ALDH1A1 (0.52) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL6604019 0.88 MAPT (0.50) MAPTALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL6601547 0.87 ALDH1A1 (0.47) MAPTALDH1A1LMNASMN1; SMN2POLB
SCHEMBL6601230 0.87 HTT (0.47) MAPTALDH1A1L3MBTL1KMT2AMEN1
Hydrochloric Acid SCHEMBL7646217 0.86 HTT (0.47) MAPTALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL6582201 0.86 GAA (0.51) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL6581784 0.86 ALDH1A1 (0.55) MAPTALDH1A1KMT2AMEN1KDM4E

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