SCHEMBL14694129

SCHEMBL14694129

Cc1ccc(C(=O)C=CC=C2SC(N3CCOCC3)=NC2=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.58
MAPT P10636 11/20 0.57
RAB9A P51151 7/20 0.57
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
NPC1 O15118 4/20 0.57
CYP1A2 P05177 2/20 0.57
CYP2C19 P33261 2/20 0.57
ALDH1A1 P00352 7/20 0.54
PSMD14 O00487 1/20 0.54
LMNA P02545 1/20 0.54
HCRTR1 O43613 1/20 0.52
HPGD P15428 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ALOX5 P09917 1/20 0.47
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL14694018 0.88 MAPT (0.56) SMN1; SMN2MAPTRAB9AMEN1KMT2A
SCHEMBL4346313 0.83 SMN1; SMN2 (0.64) SMN1; SMN2MAPTRAB9AMEN1KMT2A
SCHEMBL4346315 0.83 SMN1; SMN2 (0.64) SMN1; SMN2MAPTRAB9AMEN1KMT2A
SCHEMBL4350524 0.82 MAPT (0.79) SMN1; SMN2MAPTRAB9AMEN1KMT2A
SCHEMBL14694062 0.82 SMN1; SMN2 (0.60) SMN1; SMN2MAPTRAB9AMEN1KMT2A
SCHEMBL14694063 0.82 SMN1; SMN2 (0.60) SMN1; SMN2MAPTRAB9AMEN1KMT2A
SCHEMBL4347336 0.77 MAPT (0.79) SMN1; SMN2MAPTRAB9AMEN1KMT2A
SCHEMBL4347335 0.77 MAPT (0.79) SMN1; SMN2MAPTRAB9AMEN1KMT2A
Bromide SCHEMBL4357476 0.76 MAPT (0.77) SMN1; SMN2MAPTRAB9AMEN1KMT2A
Bromide SCHEMBL4357470 0.76 MAPT (0.77) SMN1; SMN2MAPTRAB9AMEN1KMT2A

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-1890695-B1 USE OF 2,5-DISUBSTITUTED THIAZOL-4-ONE DERIVATIVES IN DRUGS GRUENENTHAL GMBH (DE) 2013-02-20 EP claimed