SCHEMBL3896320

SCHEMBL3896320

[c]1n[nH]c(-c2ncc[nH]2)c1-c1ncco1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
NISCH Q9Y2I1 2/20 0.32
MTOR P42345 1/20 0.32
ADK P55263 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31

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
SCHEMBL1285815 0.76 ALDH1A1 (0.50) MEN1ALDH1A1KMT2ANISCHMTOR
SCHEMBL15575123 0.75 PDE3B (0.33) NISCHMTORADKPDE3BPDE3A
SCHEMBL5908134 0.72 MEN1 (0.41) MEN1ALDH1A1KMT2ANISCHMTOR
Pyrrole SCHEMBL28193076 0.69 ALDH1A1 (0.47) MEN1ALDH1A1KMT2ANISCHMTOR
SCHEMBL4511175 0.67 NISCH (0.39) MEN1ALDH1A1KMT2ANISCHMTOR
Isoxazole SCHEMBL28776356 0.66 MEN1 (0.44) MEN1ALDH1A1KMT2ANISCHMTOR
SCHEMBL81650 0.60 NISCH (0.59) MEN1ALDH1A1KMT2ANISCHMTOR
SCHEMBL100765 0.60 HPGDS (0.46) ADRA1DADRA1A
SCHEMBL21104225 0.59 HPGDS (0.33)
SCHEMBL28425230 0.58 NISCH (0.56) MEN1ALDH1A1KMT2ANISCHMTOR

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-1651167-A4 COMBINATION OF DEHYDROEPIANDROSTERONE OR DEHYDROEPIANDROSTERONE-SULFATE WITH A PDE-4 INHIBITOR FOR TREATMENT OF ASTHMA OR CHRONIC OBSTRUCTIVE PULMONARY DISEASE EPIGENESIS PHARMACEUTICALS LLC (US) 2009-04-01 EP disclosed
EP-1651167-A2 COMBINATION OF DEHYDROEPIANDROSTERONE OR DEHYDROEPIANDROSTERONE-SULFATE WITH A PDE-4 INHIBITOR FOR TREATMENT OF ASTHMA OR CHRONIC OBSTRUCTIVE PULMONARY DISEASE Epigenesis Pharmaceuticals LLC (US) 2006-05-03 EP disclosed
WO-2005011602-A2 COMBINATION OF DEHYDROEPIANDROSTERONE OR DEHYDROEPIANDROSTERONE-SULFATE WITH A PDE-4 INHIBITOR FOR TREATMENT OF ASTHMA OR CHRONIC OBSTRUCTIVE PULMONARY DISEASE EPIGENESIS PHARMACEUTICALS LLC (US) 2005-02-10 WO disclosed