SCHEMBL6606027

SCHEMBL6606027

COc1ccc(C2=NN(C(=O)c3ccc([N+](=O)[O-])cc3)CCC2)cc1OC

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PGR P06401 12/20 0.70
MAOB P27338 1/20 0.55
ALDH1A1 P00352 4/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 3/20 0.52
LMNA P02545 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
MAPK1 P28482 1/20 0.52
GAA P10253 1/20 0.49
PDE4B Q07343 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PKM P14618 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
SCHEMBL5203350 0.93 PGR (0.63) PGRMAOBALDH1A1POLBMAPT
SCHEMBL6578966 0.86 PGR (0.55) PGRALDH1A1POLBMAPTLMNA
SCHEMBL6604789 0.85 MAOB (0.59) PGRMAOBALDH1A1POLBMAPT
SCHEMBL5202941 0.82 PGR (0.51) PGRMAOBALDH1A1POLBMAPT
SCHEMBL6602606 0.82 MAOB (0.55) PGRMAOBALDH1A1POLBMAPT
SCHEMBL6601921 0.82 MAOB (0.57) PGRMAOBALDH1A1POLBMAPT
SCHEMBL6583352 0.81 PGR (0.50) PGRALDH1A1POLBMAPTLMNA
SCHEMBL6584769 0.81 PGR (0.50) PGRALDH1A1POLBMAPTLMNA
SCHEMBL6583317 0.81 PGR (0.49) PGRALDH1A1MAPTLMNACYP2C9
SCHEMBL6584768 0.81 KMT2A (0.49) PGRALDH1A1POLBMAPTCYP2C9

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 10 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
WO-2000059890-A1 TETRAHYDROPYRIDAZINE DERIVATIVES 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
WO-1998005337-A1 USE OF GABA AND NMDA RECEPTOR LIGANDS FOR THE TREATMENT OF MIGRAINE HEADACHE COCENSYS, INC. (US) 1998-02-12 WO disclosed