SCHEMBL20006967

SCHEMBL20006967

CCOc1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.74
GHSR Q92847 1/20 0.71
LMNA P02545 3/20 0.68
MAPK1 P28482 2/20 0.68
MAPT P10636 2/20 0.68
SMN1; SMN2 Q16637 1/20 0.67
ALDH1A1 P00352 3/20 0.66
TSHR P16473 3/20 0.66
POLB P06746 1/20 0.66
GAA P10253 1/20 0.66
HPGD P15428 1/20 0.66
HTT P42858 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
THRB P10828 1/20 0.61

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
SCHEMBL20006970 0.85 TP53 (1.00) TP53GHSRMAPK1SMN1; SMN2ALDH1A1
SCHEMBL12585052 0.84 MAPK1 (0.79) TP53GHSRLMNAMAPK1SMN1; SMN2
SCHEMBL20006968 0.83 PTGS2 (0.74) TP53GHSRMAPK1SMN1; SMN2ALDH1A1
SCHEMBL13501815 0.83 ALDH1A1 (0.84) TP53GHSRLMNAMAPK1SMN1; SMN2
SCHEMBL19995013 0.83 GHSR (1.00) TP53GHSRLMNAMAPK1MAPT
SCHEMBL20006962 0.81 TP53 (0.72) TP53GHSRLMNAMAPK1SMN1; SMN2
SCHEMBL20006969 0.80 MAPK1 (0.72) TP53GHSRMAPK1SMN1; SMN2ALDH1A1
SCHEMBL20006965 0.80 TP53 (0.75) TP53GHSRMAPK1SMN1; SMN2ALDH1A1
SCHEMBL328337 0.78 ALDH1A1 (0.74) TP53GHSRLMNAMAPK1MAPT
SCHEMBL5533585 0.76 L3MBTL1 (0.69) GHSRMAPK1MAPTSMN1; SMN2ALDH1A1

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-2018055235-A1 ISOXAZOLE-AMIDES FOR TREATING CARDIAC DISEASES UNIVERSITY OF HELSINKI (FI) 2018-03-29 WO disclosed