SCHEMBL6604008

SCHEMBL6604008

COc1ccc(C2=NN(C(=O)c3ccc(NC(=O)c4ncccn4)cc3)CCC2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
POLB P06746 2/20 0.51
MAOB P27338 1/20 0.49
CFTR P13569 7/20 0.48
PGR P06401 4/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
GAA P10253 1/20 0.45
NPC1 O15118 1/20 0.45
USP2 O75604 1/20 0.45
RAB9A P51151 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
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL6601547 0.94 ALDH1A1 (0.47) ALDH1A1POLBMAOBCFTRPGR
SCHEMBL7645940 0.93 ALDH1A1 (0.46) ALDH1A1POLBMAOBCFTRPGR
SCHEMBL6602284 0.92 PDE4D (0.51) ALDH1A1POLB
SCHEMBL6602165 0.91 MAOB (0.48) ALDH1A1POLBMAOBCFTRPGR
SCHEMBL6601572 0.91 NPC1 (0.56) ALDH1A1POLBMAOBCFTRPGR
SCHEMBL6600023 0.90 ALDH1A1 (0.46) ALDH1A1POLBMAOBCFTRPGR
SCHEMBL6603307 0.88 LMNA (0.54) ALDH1A1POLBMAOBCFTRPGR
Hydrochloric Acid SCHEMBL7652840 0.87 LMNA (0.53) ALDH1A1POLBMAOBCFTRPGR
SCHEMBL147544 0.87 LMNA (0.51) ALDH1A1POLBMAOBKMT2AGAA
SCHEMBL6601859 0.87 CFTR (0.50) ALDH1A1POLBMAOBCFTRPGR

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 5 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
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