SCHEMBL6606418

SCHEMBL6606418

O=C(Nc1ccc(C(=O)N2CCCC(c3ccc4c(c3)OCO4)=N2)cc1)c1ncccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.50
NPC1 O15118 6/20 0.50
RAB9A P51151 6/20 0.50
ALDH1A1 P00352 5/20 0.50
PKM P14618 3/20 0.50
HPGD P15428 1/20 0.50
RECQL P46063 1/20 0.50
PGR P06401 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
AHR P35869 1/20 0.44

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
SCHEMBL6602828 0.91 NPC1 (0.61) MAPTNPC1RAB9AALDH1A1PKM
SCHEMBL6600744 0.88 AHR (0.61) MAPTNPC1RAB9AALDH1A1PKM
SCHEMBL145733 0.86 ALDH1A1 (0.56) MAPTNPC1RAB9AALDH1A1PKM
SCHEMBL6602633 0.86 NPC1 (0.48) MAPTNPC1RAB9AALDH1A1PKM
SCHEMBL6600684 0.86 NPC1 (0.63) MAPTNPC1RAB9AALDH1A1PKM
SCHEMBL6603502 0.85 MAPT (0.56) MAPTNPC1RAB9AALDH1A1PKM
SCHEMBL6600335 0.85 MAPT (0.48) MAPTNPC1RAB9AALDH1A1PKM
SCHEMBL6603267 0.85 MAPT (0.61) MAPTNPC1RAB9AALDH1A1PKM
SCHEMBL6607585 0.85 MAPK1 (0.62) MAPTNPC1RAB9AALDH1A1PKM
SCHEMBL6600390 0.84 PGR (0.48) MAPTNPC1RAB9AALDH1A1PKM

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