SCHEMBL14636132

SCHEMBL14636132

C1CN=C2CCCN2C1.CC(=O)N(C)C

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
INMT O95050 6/20 0.65
USP2 O75604 1/20 0.58
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
SCHEMBL14637149 0.93 INMT (0.70) INMTUSP2SMN1; SMN2
Acetic Acid SCHEMBL2694265 0.89 INMT (0.74) INMTUSP2SMN1; SMN2
Acetic Acid SCHEMBL23577659 0.87 INMT (0.72) INMTUSP2SMN1; SMN2
Bicarbonate SCHEMBL31253382 0.87 INMT (0.82) INMTUSP2
SCHEMBL17417845 0.82
SCHEMBL2927 0.82
Acetic Acid SCHEMBL1691544 0.82 INMT (0.75) INMTUSP2SMN1; SMN2
Acetic Acid SCHEMBL1691556 0.82 INMT (0.75) INMTUSP2SMN1; SMN2
Acetic Acid SCHEMBL1691547 0.82 INMT (0.75) INMTUSP2SMN1; SMN2
Propionic Acid SCHEMBL17359870 0.81 INMT (0.68) INMTUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2734499-A1 MEROCYANINE DERIVATIVES BASF SE (DE) 2014-05-28 EP disclosed
WO-2013011480-A1 MEROCYANINE DERIVATIVES BASF SE (DE) 2013-01-24 WO disclosed