SCHEMBL2912416

SCHEMBL2912416

CCOC(OCC)(OP=O)c1cc2sc(NC(=O)OC(C)(C)C)nc2c(-c2cccc([N+](=O)[O-])c2)c1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.38
MEN1 O00255 6/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 7/20 0.38
ALDH1A1 P00352 4/20 0.38
PKM P14618 1/20 0.37
LCK P06239 2/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
RAB9A P51151 2/20 0.34
CACNB4 O00305 1/20 0.34
CACNA1A O00555 1/20 0.34
CACNA1G O43497 1/20 0.34
CACNG3 O60359 1/20 0.34
CACNA1F O60840 1/20 0.34
CACNA1H O95180 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
CACNB3 P54284 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
SCHEMBL2912418 0.91 KMT2A (0.38) KMT2AMEN1TP53MAPTALDH1A1
SCHEMBL2921874 0.83 MAPT (0.42) KMT2AMEN1TP53MAPTALDH1A1
SCHEMBL2917356 0.82 MAPT (0.43) KMT2AMEN1TP53MAPTALDH1A1
SCHEMBL2912413 0.80 KMT2A (0.40) KMT2AMEN1TP53MAPTALDH1A1
SCHEMBL2919126 0.79 KMT2A (0.42) KMT2AMEN1TP53MAPTALDH1A1
SCHEMBL2912520 0.73 LCK (0.46) KMT2AMEN1TP53MAPTALDH1A1
SCHEMBL2921480 0.72 MAPT (0.42) KMT2AMEN1TP53MAPTALDH1A1
SCHEMBL2923527 0.71 MAPT (0.44) KMT2AMEN1TP53MAPTALDH1A1
SCHEMBL2920980 0.71 MAPT (0.40) KMT2AMEN1TP53MAPTALDH1A1
SCHEMBL26087243 0.69 LCK (0.60) KMT2AMEN1MAPTALDH1A1PKM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2225216-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS Decode Genetics EHF (IS) 2010-09-08 EP disclosed
EP-2225215-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS Decode Genetics EHF (IS) 2010-09-08 EP disclosed
WO-2009067604-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 WO disclosed
WO-2009067618-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 WO disclosed