SCHEMBL3406748

SCHEMBL3406748

CSCCC1NC(=S)N(c2ccc3nc(S)sc3c2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.44
MAPT P10636 6/20 0.44
KMT2A Q03164 5/20 0.44
RAB9A P51151 4/20 0.44
MEN1 O00255 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 4/20 0.36
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
UBE2N P61088 1/20 0.34
NPC1 O15118 2/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTT P42858 1/20 0.33
LMNA P02545 2/20 0.32
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
CCR6 P51684 1/20 0.32

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
SCHEMBL3407739 0.86 GAA (0.40) GAAMAPTKMT2ARAB9AMEN1
SCHEMBL3403943 0.84 KMT2A (0.41) GAAMAPTKMT2ARAB9AMEN1
SCHEMBL3401925 0.78 RAB9A (0.41) GAAMAPTKMT2ARAB9AMEN1
SCHEMBL544484 0.69 RAB9A (0.57) GAAMAPTKMT2ARAB9AMEN1
SCHEMBL11614823 0.64 KMT2A (0.46) GAAMAPTKMT2AMEN1ALDH1A1
SCHEMBL22198867 0.63 GAA (0.41) GAAMAPTKMT2ARAB9AMEN1
SCHEMBL11614556 0.63 KMT2A (0.57) GAAMAPTKMT2ARAB9AMEN1
SCHEMBL11612591 0.62 KMT2A (0.48) GAAMAPTKMT2ARAB9AMEN1
SCHEMBL11616158 0.62 KMT2A (0.43) GAAMAPTKMT2ARAB9AMEN1
SCHEMBL11610860 0.62 HSP90AA1 (0.44) GAAMAPTKMT2ARAB9AMEN1

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