SCHEMBL6604734

SCHEMBL6604734

COc1cc(C2=NN(C(=O)Cc3ccc(N)cc3)CCC2)ccc1S(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.43
MAOB P27338 1/20 0.43
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PGR P06401 2/20 0.38
ABCB1 P08183 1/20 0.37
ABCC1 P33527 1/20 0.37
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
PDE4D Q08499 1/20 0.34

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
SCHEMBL6601466 0.88 MAOB (0.56) PDE4BMAOBALDH1A1HPGDRAB9A
SCHEMBL6602412 0.86 ALDH1A1 (0.52) MAOBALDH1A1SMN1; SMN2PGRPOLB
SCHEMBL6603625 0.84 MAOB (0.48) PDE4BMAOBALDH1A1HPGDRAB9A
SCHEMBL6604768 0.83 MAOB (0.47) PDE4BMAOBALDH1A1HPGDRAB9A
SCHEMBL6601003 0.82 PDE4B (0.49) PDE4BMAOBPDE4D
SCHEMBL6601996 0.81 ABCG2 (0.48) PDE4BALDH1A1RAB9ASMN1; SMN2ABCB1
SCHEMBL6625815 0.78 MAOB (0.53) PDE4BMAOBALDH1A1HPGDRAB9A
SCHEMBL3324145 0.76 MAOB (0.58) PDE4BMAOBALDH1A1HPGDRAB9A
SCHEMBL6602802 0.75 MCHR1 (0.40) ALDH1A1RAB9APGRPOLB
SCHEMBL6601399 0.75 MAOB (0.46) PDE4BMAOBALDH1A1HPGDRAB9A

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