SCHEMBL6013468

SCHEMBL6013468

S=C[CH]Cc1nc2ccccc2s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2T Q9NPD8 1/20 0.56
ASIC3 Q9UHC3 1/20 0.56
SMN1; SMN2 Q16637 8/20 0.49
RAB9A P51151 6/20 0.49
NPC1 O15118 5/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MAPK1 P28482 1/20 0.49
MAPT P10636 5/20 0.46
HTT P42858 2/20 0.45
ALOX15 P16050 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
PDE10A Q9Y233 1/20 0.45
KMT2A Q03164 4/20 0.44
HPGD P15428 3/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 1/20 0.44
PKM P14618 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL3424669 0.79 UBE2T (0.59) UBE2TASIC3SMN1; SMN2RAB9ANPC1
SCHEMBL620659 0.79 UBE2T (0.59) UBE2TASIC3SMN1; SMN2RAB9ANPC1
SCHEMBL1077024 0.79 UBE2T (0.59) UBE2TASIC3SMN1; SMN2RAB9ANPC1
Fluoride SCHEMBL2461456 0.77 UBE2T (0.58) UBE2TASIC3SMN1; SMN2RAB9ANPC1
SCHEMBL9698399 0.76 UBE2T (0.61) UBE2TASIC3SMN1; SMN2RAB9ANPC1
SCHEMBL6001358 0.76 UBE2T (0.56) UBE2TASIC3SMN1; SMN2RAB9ANPC1
SCHEMBL3115155 0.76 UBE2T (0.66) UBE2TASIC3SMN1; SMN2RAB9ANPC1
SCHEMBL3117628 0.76 UBE2T (0.66) UBE2TASIC3SMN1; SMN2RAB9ANPC1
SCHEMBL19372016 0.75 UBE2T (0.70) UBE2TASIC3SMN1; SMN2RAB9ANPC1
SCHEMBL226465 0.75 UBE2T (0.70) UBE2TASIC3SMN1; SMN2RAB9ANPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1252160-B1 METHANOCARBA CYCLOALKYL NUCLEOSIDE ANALOGUES US GOV HEALTH & HUMAN SERV (US) 2006-08-16 EP disclosed
EP-1252160-A1 METHANOCARBA CYCLOALKYL NUCLEOSIDE ANALOGUES THE UNITED STATES GOVERNMENT as represented by THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2002-10-30 EP disclosed
WO-2001051490-A1 METHANOCARBA CYCLOALKYL NUCLEOSIDE ANALOGUES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2001-07-19 WO disclosed