SCHEMBL14964990

SCHEMBL14964990

OC1CCN(c2nc(NCCN3CCCC3)nc3scc(-c4ccccc4)c23)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.51
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL14964732 0.85 SMN1; SMN2 (0.55) ALDH1A1SMN1; SMN2
SCHEMBL14964930 0.83 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2
SCHEMBL14965452 0.83 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2
SCHEMBL14965151 0.83 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2
SCHEMBL14965940 0.82 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2
SCHEMBL14965132 0.81 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2
SCHEMBL14965258 0.81 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2
SCHEMBL16293966 0.73 KMT2A (0.70) SMN1; SMN2POLBHTTKMT2A
SCHEMBL14964974 0.71 POLB (0.58) POLBHTTKMT2A
SCHEMBL14965285 0.71 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2

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-2780343-A1 THIENO- AND FURO - PYRIMIDINES AND PYRIDINES, USEFUL AS POTASSIUM CHANNEL INHIBITORS Xention Limited (GB) 2014-09-24 EP disclosed
WO-2013072694-A1 THIENO- AND FURO - PYRIMIDINES AND PYRIDINES, USEFUL AS POTASSIUM CHANNEL INHIBITORS XENTION LIMITED (GB) 2013-05-23 WO disclosed