SCHEMBL5138548

SCHEMBL5138548

CCCCCCCCCCc1cnccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KCNH2 Q12809 1/20 0.47
KDM4E B2RXH2 2/20 0.45
CYP2D6 P10635 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TLR7 Q9NYK1 2/20 0.39
TRPV1 Q8NER1 5/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL734958 1.00 TDP1 (0.47) TDP1L3MBTL1KCNH2KDM4ECYP2D6
SCHEMBL27678203 1.00 TDP1 (0.47) TDP1L3MBTL1KCNH2KDM4ECYP2D6
SCHEMBL9752654 1.00 TDP1 (0.47) TDP1L3MBTL1KCNH2KDM4ECYP2D6
SCHEMBL19304404 1.00 TDP1 (0.47) TDP1L3MBTL1KCNH2KDM4ECYP2D6
SCHEMBL16115136 1.00 TDP1 (0.47) TDP1L3MBTL1KCNH2KDM4ECYP2D6
SCHEMBL15573513 1.00 TDP1 (0.47) TDP1L3MBTL1KCNH2KDM4ECYP2D6
SCHEMBL28390769 1.00 TDP1 (0.47) TDP1L3MBTL1KCNH2KDM4ECYP2D6
SCHEMBL15376927 1.00 TDP1 (0.47) TDP1L3MBTL1KCNH2KDM4ECYP2D6
SCHEMBL1325052 0.98 TDP1 (0.48) TDP1L3MBTL1KCNH2KDM4ECYP2D6
SCHEMBL4412197 0.92 CYP2D6 (0.43) TDP1L3MBTL1KCNH2KDM4ECYP2D6

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
US-20080300342-A1 Polyolefin Resin Composition and Electric Wire Using the Same YAZAKI CORPORATION 2008-12-04 US disclosed