SCHEMBL3407739

SCHEMBL3407739

CCC1NC(=S)N(c2ccc3nc(S)sc3c2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.40
RAB9A P51151 6/20 0.40
MAPT P10636 5/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 4/20 0.39
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 4/20 0.36
PKM P14618 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
OPRK1 P41145 1/20 0.36
LMNA P02545 2/20 0.35
CCR6 P51684 1/20 0.35
UBE2N P61088 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ATM Q13315 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
SCHEMBL3403943 0.88 KMT2A (0.41) GAARAB9AMAPTKMT2AMEN1
SCHEMBL3406748 0.86 GAA (0.44) GAARAB9AMAPTKMT2AMEN1
SCHEMBL3401925 0.82 RAB9A (0.41) GAARAB9AMAPTKMT2AMEN1
SCHEMBL544484 0.73 RAB9A (0.57) GAARAB9AMAPTKMT2AMEN1
SCHEMBL8663393 0.70 GAA (0.55) GAARAB9AMAPTKMT2AMEN1
SCHEMBL12877356 0.70 GAA (0.70) GAARAB9AMAPTKMT2AMEN1
SCHEMBL8666031 0.65 GAA (0.48) GAARAB9AMAPTKMT2AMEN1
SCHEMBL14011314 0.62 KMT2A (0.48) GAARAB9AMAPTKMT2AMEN1
SCHEMBL8661557 0.62 GAA (0.44) GAARAB9AMAPTKMT2AMEN1
SCHEMBL917810 0.62 RAB9A (0.65) GAARAB9AMAPTKMT2AMEN1

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