SCHEMBL11516786

SCHEMBL11516786

Fc1ccc(NCCS)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.44
MAPT P10636 4/20 0.42
RPS6KA2 Q15349 1/20 0.40
GAA P10253 2/20 0.38
KCNH3 Q9ULD8 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
PLEC Q15149 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
LMNA P02545 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL2064760 0.84 MAPT (0.57) MAPTRPS6KA2GAAKCNH3ALDH1A1
SCHEMBL23366111 0.82 IDO1 (0.46) IDO1MAPTRPS6KA2GAAKCNH3
SCHEMBL6002300 0.78 MAPT (0.73) IDO1MAPTRPS6KA2GAAALDH1A1
SCHEMBL9167445 0.78 APP (0.48) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL416817 0.77 APP (0.47) MAPTRPS6KA2GAAKCNH3ALDH1A1
SCHEMBL790635 0.77 ALDH1A1 (0.64) IDO1MAPTALDH1A1HDAC6
SCHEMBL1130358 0.76 L3MBTL1 (0.43) MAPTGAAALDH1A1TAAR1
SCHEMBL9191846 0.76 MAPT (0.50) MAPTGAAALDH1A1
SCHEMBL2089878 0.75 MAPT (0.42) MAPTRPS6KA2GAAKCNH3ALDH1A1
SCHEMBL295193 0.75 KCNH3 (0.54) MAPTRPS6KA2GAAKCNH3ALDH1A1

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-4148815-A Amino-thiol nickel and cobalt solvent extraction KENNECOTT COPPER CORPORATION (US) 1979-04-10 US claimed
US-4148815-A Amino-thiol nickel and cobalt solvent extraction KENNECOTT COPPER CORPORATION (US) 1979-04-10 US disclosed