SCHEMBL4612908

SCHEMBL4612908

CC[N+](C)(CC)c1cccc(S)c1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.41
TSHR P16473 1/20 0.41
OPRM1 P35372 1/20 0.41
BLM P54132 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
APOBEC3A P31941 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30

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
SCHEMBL4611649 0.78 ACHE (0.54) ACHETSHROPRM1BLMSMN1; SMN2
SCHEMBL10076569 0.77 ACHE (0.46) ACHETSHROPRM1BLMSMN1; SMN2
Iodide SCHEMBL11797499 0.76 ACHE (0.52) ACHETSHROPRM1BLMSMN1; SMN2
SCHEMBL4611923 0.75 ACHE (0.71) ACHETSHROPRM1BLMSMN1; SMN2
SCHEMBL5436496 0.72 APOBEC3A (0.50) ACHETSHROPRM1BLMSMN1; SMN2
SCHEMBL10053238 0.72 ACHE (0.39) ACHETSHROPRM1BLMSMN1; SMN2
SCHEMBL18644115 0.72 ACHE (0.45) ACHE
Water SCHEMBL8385260 0.70 APOBEC3A (0.48) ACHETSHROPRM1BLMSMN1; SMN2
SCHEMBL63173 0.65
SCHEMBL1645043 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1053868-B1 Photosensitive composition and planographic printing plate base using same FUJIFILM CORP (JP) 2008-02-06 EP disclosed
EP-1872943-A2 Photosensitive composition and planographic printing plate base using same FUJIFILM Corporation (JP) 2008-01-02 EP disclosed
US-6602645-B1 Macromolecular compound having alkali soluble groups and metal phthalocyanine; high sensitivity; good developing latitude; storage stability; direct positive-type FUJI PHOTO FILM CO., LTD. (JP) 2003-08-05 US disclosed
EP-1053868-A2 Photosensitive composition and planographic printing plate base using same FUJI PHOTO FILM CO., LTD. (JP) 2000-11-22 EP disclosed