SCHEMBL8036070

SCHEMBL8036070

CNSc1ccc(C)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
RAPGEF4 Q8WZA2 1/20 0.39
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC6A4 P31645 2/20 0.33
HTR2A P28223 1/20 0.33
KCNH2 Q12809 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HPGD P15428 1/20 0.33
FKBP1A P62942 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL10948793 0.78 CYP3A4 (0.50) CYP3A4RAPGEF4MAPTSMN1; SMN2MEN1
SCHEMBL8772397 0.76 CYP3A4 (0.48) CYP3A4RAPGEF4MAPTSMN1; SMN2GAA
SCHEMBL18663454 0.75 TSHR (0.43) CYP3A4MAPTGAANPC1RAB9A
SCHEMBL22688977 0.74 ALDH1A1 (0.44) CYP3A4MAPTSMN1; SMN2GAANPC1
SCHEMBL27350577 0.74 CYP3A4 (0.52) CYP3A4RAPGEF4MAPTGAANPC1
SCHEMBL29838199 0.72 APEX1 (0.41) MAPTSMN1; SMN2GAANPC1RAB9A
SCHEMBL21102094 0.72 HTT (0.34) HTTSLC6A2
SCHEMBL20345815 0.71 EPHX2 (0.49) CYP3A4SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL12749869 0.71 CYP3A4 (0.43) CYP3A4RAPGEF4MAPTSMN1; SMN2NPC1
SCHEMBL19361101 0.70 LMNA (0.42) MAPTSMN1; SMN2NPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009076166-A2 OXIMYL HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2009-06-18 WO disclosed
WO-2009076173-A2 FLUORINATED TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2009-06-18 WO disclosed