SCHEMBL6601212

SCHEMBL6601212

COc1ccc(C2=NN(C(=O)c3ccccc3NC(=O)c3ncccn3)CCC2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.48
CFTR P13569 1/20 0.45
ALDH1A1 P00352 2/20 0.43
POLB P06746 2/20 0.43
KMT2A Q03164 2/20 0.43
TP53 P04637 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MAPT P10636 1/20 0.42
CHEK1 O14757 2/20 0.41
PIM1 P11309 1/20 0.41
MAPK8 P45983 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
PDE4B Q07343 2/20 0.41
NPC1 O15118 1/20 0.41
KDM4E B2RXH2 1/20 0.41
OPRK1 P41145 1/20 0.41
HTT P42858 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41

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 0.92 TLR7 (0.50) MAOBCFTRALDH1A1POLBKMT2A
SCHEMBL6601582 0.89 MAOB (0.48) MAOBCFTRALDH1A1POLBKMT2A
SCHEMBL6605566 0.88 CFTR (0.47) MAOBCFTRALDH1A1POLBKMT2A
SCHEMBL6602045 0.88 MAOB (0.55) MAOBALDH1A1POLBKMT2ATP53
SCHEMBL6602739 0.88 MAOB (0.53) MAOBCFTRALDH1A1POLBKMT2A
SCHEMBL6605654 0.87 KMT2A (0.47) MAOBCFTRALDH1A1POLBKMT2A
SCHEMBL143512 0.86 AAK1 (0.52) MAOBALDH1A1POLBKMT2ATP53
SCHEMBL6602424 0.86 KMT2A (0.46) MAOBCFTRALDH1A1POLBKMT2A
SCHEMBL6602211 0.85 MAOB (0.45) MAOBCFTRALDH1A1POLBKMT2A
SCHEMBL6605631 0.85 NPSR1 (0.52) MAOBALDH1A1POLBKMT2ATDP1

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 2 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