SCHEMBL13622850

SCHEMBL13622850

C=C(/N=C(\N=C(/N)N1CCOCC1)N1CCOCC1)N1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA9 Q16790 3/20 0.35
CA2 P00918 2/20 0.35
POLB P06746 1/20 0.34
FAAH O00519 1/20 0.31
PHGDH O43175 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALDH2 P05091 1/20 0.31
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
MGLL Q99685 1/20 0.31
SMN1; SMN2 Q16637 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
Moroxydine SCHEMBL2945594 0.72 LMNA (1.00) LMNACA12CA1CA9CA2
Moroxydine SCHEMBL19038555 0.72 LMNA (1.00) LMNACA12CA1CA9CA2
SCHEMBL26537626 0.71 LMNA (0.43) LMNACA12CA1CA9CA2
Moroxydine SCHEMBL7952575 0.71 LMNA (0.96) LMNACA12CA1CA9CA2
Hydrochloric Acid SCHEMBL15537612 0.69 LMNA (0.70) LMNACA12CA1CA9CA2
Moroxydine SCHEMBL16011670 0.68 LMNA (0.88) LMNACA12CA1CA9CA2
SCHEMBL24070337 0.68 CA12 (0.41) LMNACA12CA1CA9CA2
SCHEMBL2392843 0.68 LMNA (0.61) LMNACA12CA1CA9CA2
SCHEMBL22347892 0.68 LMNA (0.61) LMNACA12CA1CA9CA2
SCHEMBL12002589 0.68 LMNA (0.61) LMNACA12CA1CA9CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009135813-A1 DEGRADABLE MATERIAL BASF SE (DE) 2009-11-12 WO disclosed