SCHEMBL6602214

SCHEMBL6602214

O=C(Cl)c1ccc(NC(=O)c2cccnc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.71
ROCK1 Q13464 1/20 0.71
LMNA P02545 1/20 0.69
HIF1A Q16665 1/20 0.69
NAMPT P43490 2/20 0.66
RAB9A P51151 6/20 0.65
NPC1 O15118 4/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
TP53 P04637 1/20 0.65
KMT2A Q03164 4/20 0.63
CYP3A4 P08684 1/20 0.63
MEN1 O00255 3/20 0.62
MAPT P10636 1/20 0.62
GFER P55789 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
ALDH1A1 P00352 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.60
GAA P10253 1/20 0.60
TDP1 Q9NUW8 1/20 0.60

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
SCHEMBL11090153 0.86 NAMPT (0.78) ROCK2ROCK1LMNAHIF1ANAMPT
SCHEMBL7329481 0.86 ROCK2 (0.73) ROCK2ROCK1LMNAHIF1ANAMPT
SCHEMBL2105307 0.85 KCNK3 (0.74) ROCK2ROCK1LMNAHIF1ANAMPT
SCHEMBL3093627 0.84 ROCK2 (0.71) ROCK2ROCK1LMNAHIF1ANAMPT
SCHEMBL29596226 0.84 ROCK2 (0.71) ROCK2ROCK1LMNAHIF1ANAMPT
SCHEMBL21391312 0.84 ROCK2 (0.71) ROCK2ROCK1LMNAHIF1ANAMPT
SCHEMBL5384036 0.84 ROCK2 (0.76) ROCK2ROCK1LMNAHIF1ANAMPT
SCHEMBL14880208 0.83 ROCK2 (1.00) ROCK2ROCK1LMNAHIF1ANAMPT
Nicotinanilide SCHEMBL352439 0.83 LMNA (0.83) ROCK2ROCK1LMNAHIF1ANAMPT
Nicotinanilide SCHEMBL29067673 0.83 LMNA (0.83) ROCK2ROCK1LMNAHIF1ANAMPT

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
EP-1000035-B1 SUBSTITUTED 6-PHENYLPHENANTHRIDINES ALTANA PHARMA AG (DE) 2002-11-27 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
WO-2000059890-A1 TETRAHYDROPYRIDAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2000-10-12 WO disclosed
US-6121279-A PHOSPHODIESTERASE INHIBITOR FOR TREATING RESPIRATORY SYSTEM DISORDERS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-09-19 US disclosed
US-6107295-A Arylalkanoyl pyridazines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-22 US disclosed
EP-1000035-A1 SUBSTITUTED 6-PHENYLPHENANTHRIDINES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2000-05-17 EP disclosed
EP-0922036-A1 ARYLALKANOYL PYRIDAZINES MERCK PATENT GmbH (DE) 1999-06-16 EP disclosed
WO-1999005113-A1 SUBSTITUTED 6-PHENYLPHENANTHRIDINES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1999-02-04 WO disclosed
WO-1998006704-A1 ARYLALKANOYL PYRIDAZINES MERCK PATENT GMBH (DE) 1998-02-19 WO disclosed