SCHEMBL6873146

SCHEMBL6873146

CCC(Oc1ccc(NC(=O)c2csc(NC(=O)NCc3ccccc3)n2)cc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.48
LMNA P02545 4/20 0.48
MAPT P10636 4/20 0.48
ALDH1A1 P00352 3/20 0.48
ROCK2 O75116 3/20 0.46
ROCK1 Q13464 3/20 0.46
EPHX2 P34913 2/20 0.46
NPC1 O15118 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NAMPT P43490 3/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
KDR P35968 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 2/20 0.42
ALOX12 P18054 1/20 0.42
CA2 P00918 1/20 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
SCHEMBL6883425 0.86 ROCK2 (0.45) RAB9ALMNAMAPTALDH1A1ROCK2
SCHEMBL8063431 0.83 PPARG (0.53) RAB9ALMNAMAPTALDH1A1ROCK2
SCHEMBL6875823 0.82 RAB9A (0.50) RAB9ALMNAMAPTALDH1A1ROCK2
SCHEMBL7136553 0.79 LMNA (0.50) RAB9ALMNAMAPTALDH1A1ROCK2
SCHEMBL7145773 0.79 ROCK2 (0.53) RAB9ALMNAMAPTALDH1A1ROCK2
SCHEMBL7147820 0.79 LMNA (0.48) RAB9ALMNAMAPTALDH1A1ROCK2
SCHEMBL7146575 0.78 ROCK2 (0.50) RAB9ALMNAMAPTALDH1A1ROCK2
SCHEMBL27490613 0.78 ROCK2 (0.50) RAB9ALMNAMAPTALDH1A1ROCK2
SCHEMBL18595010 0.78 ROCK2 (0.59) RAB9AROCK2ROCK1NPC1SMN1; SMN2
SCHEMBL7145903 0.78 ROCK2 (0.44) RAB9ALMNAMAPTALDH1A1ROCK2

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-1123283-B1 THIAZOLE-DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-05-06 EP claimed