SCHEMBL9974906

SCHEMBL9974906

C(NC1C2CC3CC(C2)CC1C3)NC1C2CC3CC(C2)CC1C3

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
EPHX2 P34913 4/20 0.44
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
HSD17B10 Q99714 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD11B1 P28845 1/20 0.37
HTT P42858 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
SCHEMBL1778693 0.82 SMN1; SMN2 (0.61) SMN1; SMN2LMNAEPHX2CA1CA2
SCHEMBL6686034 0.78 L3MBTL1 (0.45) SMN1; SMN2LMNAEPHX2CA1CA2
SCHEMBL630318 0.78 SMN1; SMN2 (0.42) SMN1; SMN2LMNAEPHX2CA1CA2
SCHEMBL8968921 0.74 ALDH1A1 (0.51) SMN1; SMN2LMNAEPHX2ALDH1A1L3MBTL1
SCHEMBL1073954 0.74 LMNA (0.48) SMN1; SMN2LMNAEPHX2ALDH1A1L3MBTL1
SCHEMBL15022007 0.74 EPHX2 (0.49) SMN1; SMN2LMNAEPHX2ALDH1A1L3MBTL1
SCHEMBL12344538 0.74 LMNA (0.48) SMN1; SMN2LMNAEPHX2CA1CA2
SCHEMBL5385637 0.74 LMNA (0.48) SMN1; SMN2LMNAEPHX2CA1CA2
SCHEMBL14573044 0.74 EPHX2 (0.53) SMN1; SMN2LMNAEPHX2ALDH1A1L3MBTL1
SCHEMBL24927361 0.72 EPHX1 (0.43) SMN1; SMN2LMNAEPHX2ALDH1A1L3MBTL1

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-8202910-B2 Compositions and methods for treatment of infectious disease SEQUELLA, INC. (US) 2012-06-19 US disclosed