SCHEMBL8630497

SCHEMBL8630497

CC(=O)OCCNc1c(S)nnnc1S

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
RECQL P46063 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 2/20 0.33
CHRM5 P08912 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
PGR P06401 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
HTR1A P08908 1/20 0.32
CHRNB2 P17787 1/20 0.32
TBXA2R P21731 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 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
SCHEMBL8729042 0.71 KDM4E (0.41) KDM4ERECQLL3MBTL1MEN1CYP1A2
SCHEMBL8630491 0.71 L3MBTL1 (0.46) KDM4ERECQLL3MBTL1MEN1CYP1A2
SCHEMBL14544718 0.66 L3MBTL1 (0.51) KDM4ERECQLL3MBTL1MEN1CYP1A2
SCHEMBL14562388 0.65 ALDH1A1 (0.50) KDM4ERECQLL3MBTL1MEN1CYP1A2
SCHEMBL68618 0.65 ALDH1A1 (0.50) KDM4ERECQLL3MBTL1MEN1CYP1A2
SCHEMBL9862275 0.64 L3MBTL1 (0.46) KDM4ERECQLL3MBTL1MEN1CYP1A2
SCHEMBL5950512 0.63 KDM4E (0.52) KDM4ERECQLL3MBTL1MEN1CYP1A2
SCHEMBL6751563 0.63
SCHEMBL1892585 0.63
SCHEMBL5097428 0.63 ALDH1A1 (0.48) KDM4ERECQLL3MBTL1MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0508390-B1 Light-sensitive silver halide photographic material KONISHIROKU PHOTO IND (JP) 1998-07-01 EP disclosed
US-5258280-A 2-amino-4,6-dimercapto-1,3,5-triazine derivatives; blackness, high covering power KONICA CORPORATION (JP) 1993-11-02 US disclosed
EP-0508390-A2 Light-sensitive silver halide photographic material KONICA CORPORATION (JP) 1992-10-14 EP disclosed