SCHEMBL7645352

SCHEMBL7645352

C=CC(=O)N1CCN(c2ncccn2)CC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.57
MAPT P10636 3/20 0.57
HPGD P15428 2/20 0.57
GAA P10253 2/20 0.57
POLB P06746 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
KDM4E B2RXH2 6/20 0.55
L3MBTL1 Q9Y468 3/20 0.53
HTT P42858 1/20 0.53
CACNA1B Q00975 1/20 0.53
APBA1 Q02410 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
SLC6A7 Q99884 2/20 0.51
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
PKM P14618 1/20 0.50

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
SCHEMBL21520431 0.81 MAPT (0.50) ALDH1A1MAPTHPGDGAAPOLB
SCHEMBL27580589 0.81 KDM4E (0.62) ALDH1A1GAAKDM4EL3MBTL1MEN1
SCHEMBL10297497 0.81 JAK3 (0.46) ALDH1A1MAPTHPGDGAAPOLB
SCHEMBL2856220 0.79 GAA (0.61) ALDH1A1MAPTGAAKDM4EL3MBTL1
SCHEMBL8362169 0.78 KDM4E (0.58) ALDH1A1GAAKDM4EL3MBTL1MEN1
SCHEMBL9558198 0.78 MEN1 (0.59) ALDH1A1GAAKDM4EL3MBTL1MEN1
SCHEMBL1919434 0.78 MEN1 (0.73) ALDH1A1GAAKDM4EL3MBTL1MEN1
SCHEMBL21521958 0.78 SLC6A7 (0.46) ALDH1A1MAPTHPGDGAASLC6A7
SCHEMBL21522149 0.78 SLC6A7 (0.46) HPGDSMN1; SMN2SLC6A7
SCHEMBL7639919 0.76 KDM4E (0.53) ALDH1A1GAAKDM4EL3MBTL1MEN1

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
US-6465588-B1 PARTICULARLY SUITABLE FOR FOLDABLE INTRAOCULAR LENS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-10-15 US disclosed
EP-1026182-A1 FOUR COMPONENT COPOLYMER AND THE OCULAR LENS MADE THEREOF SANTEN PHARMACEUTICAL CO., LTD (JP) 2000-08-09 EP disclosed