SCHEMBL6605566

SCHEMBL6605566

COc1ccc(C2=NN(C(=O)c3ccccc3NC(=O)c3ccncn3)CCC2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.47
GRM4 Q14833 1/20 0.46
MAOB P27338 1/20 0.46
PDE4B Q07343 2/20 0.42
CHEK1 O14757 2/20 0.41
KMT2A Q03164 2/20 0.41
TP53 P04637 2/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 4/20 0.41
POLB P06746 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 2/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
PIM1 P11309 1/20 0.39
MAPK8 P45983 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
SCHEMBL6600413 0.91 TLR7 (0.50) CFTRGRM4MAOBCHEK1KMT2A
SCHEMBL6605654 0.89 KMT2A (0.47) CFTRGRM4MAOBPDE4BCHEK1
SCHEMBL6601582 0.89 MAOB (0.48) CFTRMAOBPDE4BCHEK1KMT2A
SCHEMBL6601212 0.88 MAOB (0.48) CFTRMAOBPDE4BCHEK1KMT2A
SCHEMBL6602211 0.86 MAOB (0.45) CFTRMAOBPDE4BCHEK1KMT2A
SCHEMBL143512 0.85 AAK1 (0.52) MAOBPDE4BKMT2ATP53MAPT
SCHEMBL6602739 0.85 MAOB (0.53) CFTRMAOBPDE4BCHEK1KMT2A
SCHEMBL6602045 0.85 MAOB (0.55) MAOBPDE4BKMT2ATP53MAPT
SCHEMBL6601859 0.85 CFTR (0.50) CFTRMAOBPDE4BKMT2AALDH1A1
SCHEMBL6600783 0.85 RXFP1 (0.43) CFTRMAOBPDE4BKMT2ATP53

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 3 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