SCHEMBL6601658

SCHEMBL6601658

COc1ccc(C2=NN(C(=O)c3ccccc3NC(=O)c3sc(C)nc3C)CCC2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
MAOB P27338 1/20 0.45
ALDH1A1 P00352 3/20 0.42
POLB P06746 2/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
RXFP1 Q9HBX9 3/20 0.41
TP53 P04637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CHEK1 O14757 1/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
THRB P10828 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.39
MAPT P10636 2/20 0.39
CFTR P13569 1/20 0.39

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
SCHEMBL6604844 0.86 POLB (0.47) KMT2AMEN1MAOBALDH1A1POLB
SCHEMBL6600682 0.85 RAB9A (0.46) KMT2AMEN1MAOBALDH1A1POLB
SCHEMBL6602045 0.84 MAOB (0.55) KMT2AMEN1MAOBALDH1A1POLB
SCHEMBL6602739 0.84 MAOB (0.53) KMT2AMAOBALDH1A1POLBRXFP1
SCHEMBL6601212 0.84 MAOB (0.48) KMT2AMAOBALDH1A1POLBRXFP1
SCHEMBL6604600 0.83 ABCG2 (0.52) KMT2AMEN1MAOBALDH1A1POLB
SCHEMBL6600413 0.83 TLR7 (0.50) KMT2AMAOBALDH1A1POLBRXFP1
SCHEMBL6601582 0.83 MAOB (0.48) KMT2AMEN1MAOBALDH1A1POLB
SCHEMBL144923 0.82 ALDH1A1 (0.49) KMT2AMEN1MAOBALDH1A1POLB
SCHEMBL6605631 0.82 NPSR1 (0.52) KMT2AMEN1MAOBALDH1A1POLB

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