SCHEMBL6600682

SCHEMBL6600682

COc1ccc(C2=NN(C(=O)c3cccc(NC(=O)c4sc(C)nc4C)c3)CCC2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.46
NPC1 O15118 2/20 0.46
TP53 P04637 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
NR1H4 Q96RI1 1/20 0.44
MAOB P27338 1/20 0.43
POLB P06746 4/20 0.43
ALDH1A1 P00352 3/20 0.43
PKM P14618 2/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RECQL P46063 1/20 0.42
MAPT P10636 2/20 0.41
PGR P06401 2/20 0.41
THRB P10828 1/20 0.41
EGFR P00533 1/20 0.39
KDR P35968 1/20 0.39
CFTR P13569 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
SCHEMBL6601052 0.94 RAB9A (0.42) RAB9ANPC1TP53SMN1; SMN2KMT2A
SCHEMBL6602668 0.93 PDE5A (0.47) RAB9ANPC1TP53SMN1; SMN2KMT2A
SCHEMBL6604844 0.91 POLB (0.47) RAB9ANPC1KMT2AMEN1MAOB
SCHEMBL6601658 0.85 KMT2A (0.49) RAB9ANPC1TP53SMN1; SMN2KMT2A
SCHEMBL6601766 0.85 POLB (0.43) RAB9ANPC1TP53KMT2AMEN1
SCHEMBL7649043 0.85 POLB (0.43) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL6602179 0.84 PDE4D (0.45) KMT2AMEN1POLBALDH1A1
SCHEMBL6604071 0.84 MAOB (0.54) SMN1; SMN2MAOBPOLBALDH1A1PKM
SCHEMBL6603384 0.84 MAOB (0.52) SMN1; SMN2MAOBPOLBALDH1A1PKM
SCHEMBL6602165 0.83 MAOB (0.48) RAB9ANPC1SMN1; SMN2MAOBPOLB

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 8 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
EP-1143944-A3 USE OF ARYLALKANOYLPYRIDAZINES MERCK PATENT GmbH (DE) 2002-09-11 EP disclosed
EP-1143944-A2 USE OF ARYLALKANOYLPYRIDAZINES MERCK PATENT GmbH (DE) 2001-10-17 EP disclosed
WO-2000059484-A2 USE OF ARYLALKANOYLPYRIDAZINES MERCK PATENT GMBH (DE) 2000-10-12 WO disclosed
US-6107295-A Arylalkanoyl pyridazines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-22 US disclosed
EP-0922036-A1 ARYLALKANOYL PYRIDAZINES MERCK PATENT GmbH (DE) 1999-06-16 EP disclosed
WO-1998006704-A1 ARYLALKANOYL PYRIDAZINES MERCK PATENT GMBH (DE) 1998-02-19 WO disclosed