SCHEMBL7647347

SCHEMBL7647347

COc1ccc(C2=NN(C(=O)c3ccc(NC(=O)c4ccno4)cc3)CCC2)cc1OC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
POLB P06746 2/20 0.42
ABL1 P00519 4/20 0.41
MAOB P27338 1/20 0.41
PGR P06401 3/20 0.40
CFTR P13569 6/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
GAA P10253 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
SCHEMBL6601439 0.94 MAOB (0.47) ALDH1A1POLBMAOBPGRCFTR
SCHEMBL6601713 0.89 ALDH1A1 (0.42) ALDH1A1POLBMAOBPGRCFTR
SCHEMBL6604786 0.88 TSHR (0.47) ALDH1A1POLBKMT2AMEN1MAPK1
SCHEMBL6605509 0.88 ABL1 (0.50) ALDH1A1POLBABL1MAOBCFTR
SCHEMBL6602175 0.88 PDE4D (0.47) ALDH1A1POLB
SCHEMBL7645940 0.87 ALDH1A1 (0.46) ALDH1A1POLBABL1MAOBPGR
SCHEMBL6605449 0.87 ALDH1A1 (0.48) ALDH1A1POLBABL1MAOBPGR
SCHEMBL6600745 0.87 MAOB (0.48) ALDH1A1POLBMAOBPGRGAA
SCHEMBL6602107 0.86 NPC1 (0.48) ALDH1A1POLBABL1PGRCFTR
SCHEMBL6605418 0.86 ALDH1A1 (0.42) ALDH1A1POLBMAOBPGRCFTR

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
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