SCHEMBL6604036

SCHEMBL6604036

COc1ccc(C2=NN(C(=O)c3cccc(NC(=O)c4cccs4)c3)CCC2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.55
KMT2A Q03164 6/20 0.53
MAPT P10636 4/20 0.50
POLB P06746 3/20 0.48
MEN1 O00255 5/20 0.47
ALDH1A1 P00352 5/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 2/20 0.47
TP53 P04637 1/20 0.47
KDM4E B2RXH2 2/20 0.46
MAOB P27338 1/20 0.46
GABRD O14764 1/20 0.45
GABRA1 P14867 1/20 0.45
GABRB1 P18505 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 1/20 0.45

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
SCHEMBL6602172 0.94 L3MBTL1 (0.49) L3MBTL1KMT2AMAPTPOLBMEN1
SCHEMBL6601277 0.92 L3MBTL1 (0.47) L3MBTL1KMT2AMAPTPOLBMEN1
SCHEMBL6605728 0.92 MAPT (0.59) L3MBTL1KMT2AMAPTPOLBMEN1
SCHEMBL6602100 0.87 MAOB (0.48) L3MBTL1KMT2AMAPTPOLBMEN1
Hydrochloric Acid SCHEMBL7646213 0.86 MAOB (0.47) L3MBTL1KMT2AMAPTPOLBMEN1
SCHEMBL6604071 0.86 MAOB (0.54) MAPTPOLBALDH1A1SMN1; SMN2LMNA
SCHEMBL6603384 0.86 MAOB (0.52) MAPTPOLBALDH1A1SMN1; SMN2LMNA
SCHEMBL6607041 0.85 MAPT (0.52) L3MBTL1KMT2AMAPTPOLBMEN1
SCHEMBL6602165 0.85 MAOB (0.48) MAPTPOLBALDH1A1NPC1RAB9A
SCHEMBL6603998 0.85 MAPT (0.51) L3MBTL1KMT2AMAPTPOLBMEN1

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