SCHEMBL3144170

SCHEMBL3144170

Cc1ccc(Cc2nsc(N3CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)C(C)C3)n2)cc1.Cc1ccc(Cc2nsc(N3CCN(S(=O)(=O)c4cccc5cccnc45)CC3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.41
HSD11B1 P28845 4/20 0.41
GAA P10253 1/20 0.40
ALOX15 P16050 3/20 0.39
TSHR P16473 1/20 0.38
GFER P55789 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL2012048 0.86 HSD11B1 (0.51) ALDH1A1MAPTHSD11B1GAATSHR
SCHEMBL2003858 0.84 ALDH1A1 (0.58) ALDH1A1GAAALOX15TSHRGFER
SCHEMBL2007089 0.80 ALDH1A1 (0.42) ALDH1A1LMNAHSD11B1GAATSHR
SCHEMBL2006369 0.80 HSD11B1 (0.50) MAPTHSD11B1
SCHEMBL4684441 0.78 ALDH1A1 (0.47) ALDH1A1MAPTHSD11B1GAAALOX15
SCHEMBL4685416 0.78 HSD11B1 (0.41) MAPTHSD11B1
SCHEMBL3054414 0.78 ALDH1A1 (0.40) ALDH1A1LMNAHSD11B1GAATSHR
SCHEMBL2000970 0.77 VCAM1 (0.42) ALDH1A1MAPTLMNAHSD11B1GAA
SCHEMBL3052047 0.77 ALDH1A1 (0.40) ALDH1A1HSD11B1GAATSHRNPSR1
SCHEMBL2009133 0.76 HSD11B1 (0.49) HSD11B1

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-1981504-B1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES REMYND NV (BE) 2010-07-21 EP claimed