SCHEMBL28057903

SCHEMBL28057903

O=[SH](=O)OCCCNC1C2CC3CC(C2)CC1C3

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
EPHX2 P34913 6/20 0.38
FDFT1 P37268 2/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
GGPS1 O95749 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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 0.72 SMN1; SMN2 (0.61) LMNASMN1; SMN2EPHX2FDFT1ALDH1A1
SCHEMBL28057909 0.72 KDM4E (0.38) SMN1; SMN2ALDH1A1KDM4E
SCHEMBL17352418 0.70 LMNA (0.55) LMNASMN1; SMN2EPHX2FDFT1ALDH1A1
SCHEMBL10151333 0.70 LMNA (0.55) LMNASMN1; SMN2EPHX2FDFT1ALDH1A1
SCHEMBL5263064 0.70 LMNA (0.55) LMNASMN1; SMN2EPHX2FDFT1ALDH1A1
SCHEMBL28057902 0.69 KDM4E (0.46) SMN1; SMN2ALDH1A1KDM4E
SCHEMBL28058013 0.69 EPHX2 (0.41) EPHX2ALDH1A1
SCHEMBL13724865 0.68 KDM4E (0.45) SMN1; SMN2EPHX2ALDH1A1KDM4E
SCHEMBL17352352 0.67 EPHX2 (0.58) LMNASMN1; SMN2EPHX2ALDH1A1L3MBTL1
SCHEMBL13330072 0.67 LMNA (0.47) LMNASMN1; SMN2EPHX2FDFT1ALDH1A1

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
CN-101597196-B Improved drug candidate and preparation method thereof JIYAKETA CO., LTD. (CH) 2016-05-04 CN disclosed