SCHEMBL2762858

SCHEMBL2762858

COc1ccc2c(c1)CCc1sc(CNS(=O)(=O)c3ccc(Cl)cc3Cl)nc1-2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.56
TP53 P04637 6/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
ADORA1 P30542 1/20 0.49
ALDH1A1 P00352 6/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
KDM4E B2RXH2 4/20 0.48
HPGD P15428 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
DYRK1A Q13627 1/20 0.46
RAB9A P51151 3/20 0.45
LMNA P02545 2/20 0.45
ROCK2 O75116 1/20 0.42
TDP2 O95551 2/20 0.41

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
SCHEMBL2762411 0.77 MAPT (0.62) MAPTTP53SMN1; SMN2ADORA1ALDH1A1
SCHEMBL2762879 0.76 MAPT (0.58) MAPTTP53SMN1; SMN2ADORA1ALDH1A1
SCHEMBL2762860 0.74 MAPT (0.56) MAPTTP53SMN1; SMN2ADORA1ALDH1A1
SCHEMBL2762753 0.74 MAPT (0.58) MAPTTP53SMN1; SMN2ADORA1ALDH1A1
SCHEMBL2762933 0.72 MAPT (0.59) MAPTTP53SMN1; SMN2ADORA1ALDH1A1
SCHEMBL2762669 0.72 MAPT (0.56) MAPTTP53SMN1; SMN2ADORA1ALDH1A1
SCHEMBL2763423 0.71 MAPT (0.59) MAPTTP53SMN1; SMN2ADORA1ALDH1A1
SCHEMBL1815237 0.68 ADORA1 (0.97) MAPTTP53SMN1; SMN2ADORA1ALDH1A1
SCHEMBL2762862 0.67 MAPT (0.56) MAPTTP53SMN1; SMN2ADORA1ALDH1A1
Bromide SCHEMBL2762927 0.67 ADORA1 (0.95) MAPTTP53SMN1; SMN2ADORA1ALDH1A1

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
EP-1283832-B1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2010-10-20 EP disclosed