SCHEMBL3410310

SCHEMBL3410310

CC(C)N(C(=O)O)c1ccc2nc(S)sc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HTT P42858 2/20 0.37
PPARA Q07869 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
NOD2 Q9HC29 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
LDHA P00338 2/20 0.35
CA2 P00918 1/20 0.35
EPHX2 P34913 1/20 0.35
KMT2A Q03164 2/20 0.34
APP P05067 2/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL8298781 0.85 MAPT (0.39) MAPTNPC1RAB9ASMN1; SMN2PPARA
SCHEMBL2077416 0.81 APP (0.39) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL2870138 0.81 MAPT (0.51) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL3405108 0.81 ATM (0.38) MAPTSMN1; SMN2PPARAALDH1A1CASP3
SCHEMBL2865968 0.80 MAPT (0.47) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL2869556 0.80 MAPT (0.40) MAPTNPC1RAB9ASMN1; SMN2PPARA
SCHEMBL2082283 0.79 APP (0.40) MAPTAPPINSR
SCHEMBL2082285 0.79 APP (0.40) MAPTAPPINSR
SCHEMBL2855117 0.79 CA2 (0.40) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL13262428 0.78 ALDH1A1 (0.37) MAPTNPC1RAB9ASMN1; SMN2HTT

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-1370260-B1 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2010-11-24 EP claimed