SCHEMBL6602211

SCHEMBL6602211

COc1ccc(C2=NN(C(=O)c3ccccc3NC(=O)c3c[nH]cn3)CCC2)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.45
CFTR P13569 1/20 0.44
CHEK1 O14757 2/20 0.43
TP53 P04637 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 5/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PDE4B Q07343 3/20 0.39
NPC1 O15118 1/20 0.39
PIM1 P11309 1/20 0.39
MAPK8 P45983 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
PKM P14618 1/20 0.38

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 0.88 TLR7 (0.50) MAOBCFTRCHEK1TP53RXFP1
SCHEMBL6605566 0.86 CFTR (0.47) MAOBCFTRCHEK1TP53RXFP1
SCHEMBL6601212 0.85 MAOB (0.48) MAOBCFTRCHEK1TP53RXFP1
SCHEMBL6605654 0.85 KMT2A (0.47) MAOBCFTRCHEK1TP53TDP1
SCHEMBL6600325 0.85 CFTR (0.49) MAOBCFTRALDH1A1POLBMAPT
SCHEMBL6600797 0.85 ALDH1A1 (0.48) MAOBCFTRALDH1A1POLBMAPT
SCHEMBL6602045 0.84 MAOB (0.55) MAOBTP53RXFP1TDP1ALDH1A1
SCHEMBL6602739 0.84 MAOB (0.53) MAOBCFTRCHEK1TP53RXFP1
SCHEMBL6601582 0.83 MAOB (0.48) MAOBCFTRCHEK1TP53RXFP1
SCHEMBL6605631 0.82 NPSR1 (0.52) MAOBTDP1ALDH1A1POLBMAPT

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