SCHEMBL6607585

SCHEMBL6607585

O=C(Nc1ccc(C(=O)N2CCCC(c3ccc4c(c3)OCO4)=N2)cc1)c1cccs1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.62
ALDH1A1 P00352 5/20 0.60
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
HPGD P15428 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
PKM P14618 3/20 0.60
TP53 P04637 1/20 0.60
MAPT P10636 8/20 0.55
LMNA P02545 2/20 0.55
KDM4E B2RXH2 3/20 0.54
RAB9A P51151 5/20 0.53
NPC1 O15118 4/20 0.53
GAA P10253 2/20 0.49
POLB P06746 1/20 0.48
RECQL P46063 1/20 0.48
PGR P06401 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 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
SCHEMBL6600744 0.85 AHR (0.61) MAPK1ALDH1A1HPGDSMN1; SMN2PKM
SCHEMBL6606418 0.85 MAPT (0.50) ALDH1A1HPGDSMN1; SMN2PKMMAPT
SCHEMBL6605728 0.83 MAPT (0.59) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL6603502 0.83 MAPT (0.56) ALDH1A1HPGDSMN1; SMN2PKMMAPT
SCHEMBL6603267 0.83 MAPT (0.61) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL6602828 0.83 NPC1 (0.61) MAPK1ALDH1A1HPGDSMN1; SMN2PKM
SCHEMBL145733 0.82 ALDH1A1 (0.56) ALDH1A1HPGDSMN1; SMN2PKMTP53
SCHEMBL6604801 0.82 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL6600335 0.81 MAPT (0.48) ALDH1A1KMT2AHPGDSMN1; SMN2PKM
SCHEMBL6602633 0.81 NPC1 (0.48) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2

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 11 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
US-5663416-A ENZYME INHIBITORS AS ANTIINFLAMMATORY AGENTS OR DERMATITIS TREATMENT CORTECH INC. 1997-09-02 US disclosed
US-5214191-A OXIDANT SENSITIVE AND INSENSITIVE AROMATIC ESTERS AS INHIBITORS OF HUMAN NEUTROPHIL ELASTASE CORTECH, INC. (US) 1993-05-25 US disclosed
EP-0465802-A1 Oxidant sensitive and insensitive aromatic esters as inhibitors of human neutrophil elastase CORTECH, INC. (US) 1992-01-15 EP disclosed