SCHEMBL6602424

SCHEMBL6602424

COc1ccc(C2=NN(C(=O)c3ccccc3NC(=O)c3ccno3)CCC2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
MAOB P27338 1/20 0.46
CSF1R P07333 1/20 0.43
CFTR P13569 1/20 0.41
ALDH1A1 P00352 5/20 0.41
POLB P06746 2/20 0.41
RXFP1 Q9HBX9 3/20 0.40
TP53 P04637 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
RXFP2 Q8WXD0 1/20 0.40
HDAC1 Q13547 1/20 0.40
MAPT P10636 4/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TSHR P16473 2/20 0.39
BLM P54132 1/20 0.39
PDE4B Q07343 1/20 0.39
CHEK1 O14757 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
SCHEMBL6605631 0.87 NPSR1 (0.52) KMT2AMEN1MAPK1MAOBALDH1A1
SCHEMBL6601212 0.86 MAOB (0.48) KMT2AMAOBCFTRALDH1A1POLB
SCHEMBL6601582 0.85 MAOB (0.48) KMT2AMEN1MAPK1MAOBCFTR
SCHEMBL6600413 0.85 TLR7 (0.50) KMT2AMAOBCFTRALDH1A1POLB
SCHEMBL6602045 0.85 MAOB (0.55) KMT2AMEN1MAOBALDH1A1POLB
SCHEMBL6602739 0.85 MAOB (0.53) KMT2AMAOBCFTRALDH1A1POLB
SCHEMBL6601439 0.85 MAOB (0.47) KMT2AMEN1MAPK1MAOBCFTR
SCHEMBL6606976 0.84 MAOB (0.45) KMT2AMEN1MAPK1MAOBCFTR
SCHEMBL6605566 0.83 CFTR (0.47) KMT2AMAOBCFTRALDH1A1POLB
SCHEMBL143512 0.83 AAK1 (0.52) KMT2AMEN1MAPK1MAOBALDH1A1

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