SCHEMBL19953828

SCHEMBL19953828

CC1(C)O[C@@H]2[C@H](O1)[C@H](n1ccc(N)nc1=O)O[C@@H]2CN=[N+]=[N-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
THRB P10828 1/20 0.46
MTOR P42345 1/20 0.46
MDM2 Q00987 1/20 0.46
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
PDE3A Q14432 3/20 0.39
PDE4D Q08499 1/20 0.39
SLC29A1 Q99808 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 1/20 0.36
GLA P06280 1/20 0.36
P2RY2 P41231 1/20 0.36
PI4KA P42356 1/20 0.36
PI4K2B Q8TCG2 1/20 0.36
PI4K2A Q9BTU6 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
CACNA1F O60840 2/20 0.35
ALB P02768 2/20 0.35
MAPT P10636 2/20 0.35

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
SCHEMBL13623603 1.00 LMNA (0.46) LMNATHRBMTORMDM2NCOA1
SCHEMBL13610749 1.00 LMNA (0.46) LMNATHRBMTORMDM2NCOA1
SCHEMBL13435075 1.00 LMNA (0.46) LMNATHRBMTORMDM2NCOA1
SCHEMBL26320640 0.83 LMNA (0.63) LMNATHRBMTORMDM2NCOA1
SCHEMBL20668731 0.83 LMNA (0.63) LMNATHRBMTORMDM2NCOA1
SCHEMBL9467302 0.83 LMNA (0.63) LMNATHRBMTORMDM2NCOA1
SCHEMBL13003005 0.83 LMNA (0.63) LMNATHRBMTORMDM2NCOA1
SCHEMBL4384095 0.81 LMNA (0.49) LMNATHRBMTORMDM2NCOA1
SCHEMBL14473415 0.79 SLC28A1 (0.44) SLC29A1P2RY2P2RY12
SCHEMBL19953835 0.79 SLC28A1 (0.44) SLC29A1P2RY2P2RY12

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
US-9914924-B2 Methods and compositions for treating neurological disease UNIVERSITY OF MASSACHUSETTS (US) 2018-03-13 US disclosed