SCHEMBL10661708

SCHEMBL10661708

CCN1C(=C2SC(=S)N(CCC(=O)O)C2=O)Sc2ccccc21

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 12/20 0.76
▸ KMT2A Q03164 12/20 0.76
▸ SMN1; SMN2 Q16637 2/20 0.71
▸ POLB P06746 4/20 0.66
▸ MAPT P10636 4/20 0.63
▸ MMP13 P45452 2/20 0.63
▸ LMNA P02545 2/20 0.58
▸ HPGD P15428 1/20 0.58
▸ ALOX15 P16050 1/20 0.58
▸ ALOX12 P18054 1/20 0.58
▸ CASP1 P29466 1/20 0.58
▸ CASP7 P55210 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ APEX1 P27695 1/20 0.56
▸ ALDH1A1 P00352 2/20 0.54
▸ GFER P55789 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ CTDSP1 Q9GZU7 2/20 0.51

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
SCHEMBL9054683 0.89 MEN1 (0.60) MEN1KMT2ASMN1; SMN2POLBMAPT
SCHEMBL9054686 0.89 MEN1 (0.60) MEN1KMT2ASMN1; SMN2POLBMAPT
SCHEMBL9191082 0.89 MEN1 (0.80) MEN1KMT2ASMN1; SMN2POLBMAPT
SCHEMBL9191085 0.89 MEN1 (0.80) MEN1KMT2ASMN1; SMN2POLBMAPT
SCHEMBL8887899 0.87 MEN1 (1.00) MEN1KMT2ASMN1; SMN2POLBMAPT
SCHEMBL7019338 0.87 MEN1 (1.00) MEN1KMT2ASMN1; SMN2POLBMAPT
SCHEMBL10036060 0.87 MEN1 (1.00) MEN1KMT2ASMN1; SMN2POLBMAPT
SCHEMBL29959615 0.84 MEN1 (0.71) MEN1KMT2ASMN1; SMN2POLBMAPT
SCHEMBL10036086 0.84 MEN1 (0.72) MEN1KMT2ASMN1; SMN2POLBMAPT
SCHEMBL6264761 0.83 MEN1 (0.81) MEN1KMT2ASMN1; SMN2POLBMAPT

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
US-4724201-A SILVER HALIDE EMULSION AND A SENSITIZING DYE HAVING A CYCLODEXTRIN SUBSTITUENT; PHOTOGRAPHIC FILM FUJI PHOTO FILM CO., LTD. (JP) 1988-02-09 — — US disclosed
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