SCHEMBL9650232

SCHEMBL9650232

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 13/20 0.58
▸ KMT2A Q03164 13/20 0.58
▸ POLB P06746 7/20 0.58
▸ MAPT P10636 5/20 0.58
▸ MMP13 P45452 2/20 0.58
▸ ALOX15 P16050 3/20 0.54
▸ ALOX12 P18054 3/20 0.54
▸ CASP1 P29466 3/20 0.54
▸ HSD17B10 Q99714 3/20 0.54
▸ CASP7 P55210 2/20 0.54
▸ HPGD P15428 2/20 0.54
▸ LMNA P02545 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ CTDSP1 Q9GZU7 4/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.49
▸ APEX1 P27695 3/20 0.48
▸ PTGES O14684 1/20 0.48
▸ TDP1 Q9NUW8 2/20 0.41

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
SCHEMBL9651086 0.89 MEN1 (0.72) MEN1KMT2APOLBMAPTMMP13
SCHEMBL10999670 0.89 MEN1 (0.72) MEN1KMT2APOLBMAPTMMP13
SCHEMBL9191085 0.82 MEN1 (0.80) MEN1KMT2APOLBMAPTMMP13
SCHEMBL9191082 0.82 MEN1 (0.80) MEN1KMT2APOLBMAPTMMP13
SCHEMBL8606929 0.81 MEN1 (0.61) MEN1KMT2APOLBMAPTMMP13
SCHEMBL8606927 0.81 MEN1 (0.61) MEN1KMT2APOLBMAPTMMP13
SCHEMBL29959615 0.77 MEN1 (0.71) MEN1KMT2APOLBMAPTMMP13
SCHEMBL9651467 0.75 MEN1 (0.58) MEN1KMT2APOLBMAPTMMP13
SCHEMBL9651470 0.75 MEN1 (0.58) MEN1KMT2APOLBMAPTMMP13
SCHEMBL10661708 0.74 MEN1 (0.76) MEN1KMT2APOLBMAPTMMP13

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-5108887-A Zeromethine merocyanine dyes as J-aggregating spectral sensitizers for tabular emulsions E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-04-28 — — US claimed
US-5108887-A Zeromethine merocyanine dyes as J-aggregating spectral sensitizers for tabular emulsions E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-04-28 — — US disclosed
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