SCHEMBL6601230

SCHEMBL6601230

CCOc1cc(C2=NN(C(=O)c3ccc(NC(=O)c4ccncc4)cc3)CCC2)ccc1OC

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 2/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
PKM P14618 1/20 0.45
CFTR P13569 5/20 0.45
POLB P06746 2/20 0.45
NAMPT P43490 1/20 0.44
MAOB P27338 1/20 0.43

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
Hydrochloric Acid SCHEMBL7646217 0.99 HTT (0.47) HTTSMN1; SMN2LMNAMAPK1L3MBTL1
SCHEMBL6603307 0.93 LMNA (0.54) HTTSMN1; SMN2LMNAMAPK1L3MBTL1
SCHEMBL6582201 0.92 GAA (0.51) SMN1; SMN2MAPTGAAALDH1A1POLB
SCHEMBL6587589 0.92 ALDH1A1 (0.52) SMN1; SMN2LMNAMAPTKMT2AALDH1A1
SCHEMBL6581784 0.92 ALDH1A1 (0.55) SMN1; SMN2LMNAKDM4EMAPTKMT2A
Hydrochloric Acid SCHEMBL7652840 0.92 LMNA (0.53) HTTSMN1; SMN2LMNAMAPK1L3MBTL1
SCHEMBL6581226 0.92 PGR (0.54) SMN1; SMN2LMNAMAPTGAAALDH1A1
SCHEMBL6584572 0.92 NPC1 (0.45) SMN1; SMN2MAPTGAAKMT2AALDH1A1
SCHEMBL6600753 0.91 SMN1; SMN2 (0.44) HTTSMN1; SMN2LMNAMAPK1L3MBTL1
SCHEMBL6601535 0.91 CFTR (0.45) GAAALDH1A1CFTRPOLBMAOB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0922036-B1 ARYLALKANOYL PYRIDAZINES MERCK PATENT GMBH (DE) 2004-03-24 EP claimed
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 claimed
US-6107295-A Arylalkanoyl pyridazines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-22 US claimed
EP-0922036-A1 ARYLALKANOYL PYRIDAZINES MERCK PATENT GmbH (DE) 1999-06-16 EP claimed
WO-1998006704-A1 ARYLALKANOYL PYRIDAZINES MERCK PATENT GMBH (DE) 1998-02-19 WO claimed
EP-0922036-B1 ARYLALKANOYL PYRIDAZINES MERCK PATENT GMBH (DE) 2004-03-24 EP disclosed
WO-2003024488-A2 COMBINATION OF A PDE INHIBITOR AND A LEUKOTRIENE RECEPTOR ANTAGONIST ALTANA PHARMA AG (DE) 2003-03-27 WO disclosed