SCHEMBL8863282

SCHEMBL8863282

COc1ccc2c(c1)N(CCCCS(=O)(=O)O)/C(=C1\SC(=S)N(CC(=O)O)C1=O)S2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 12/20 0.61
▸ KMT2A Q03164 12/20 0.61
▸ MAPT P10636 6/20 0.56
▸ POLB P06746 3/20 0.56
▸ MMP13 P45452 2/20 0.56
▸ CASP1 P29466 4/20 0.52
▸ HSD17B10 Q99714 4/20 0.52
▸ ALOX15 P16050 3/20 0.52
▸ ALOX12 P18054 3/20 0.52
▸ CASP7 P55210 3/20 0.52
▸ HPGD P15428 2/20 0.52
▸ LMNA P02545 2/20 0.52
▸ ALDH1A1 P00352 4/20 0.49
▸ CTDSP1 Q9GZU7 2/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ RXFP1 Q9HBX9 2/20 0.47
▸ AKR1B1 P15121 1/20 0.43
▸ EP300 Q09472 1/20 0.41
▸ CREBBP Q92793 1/20 0.41
▸ KAT2A Q92830 1/20 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
SCHEMBL8863286 1.00 MEN1 (0.61) MEN1KMT2AMAPTPOLBMMP13
SCHEMBL8863145 0.97 MEN1 (0.61) MEN1KMT2AMAPTPOLBMMP13
SCHEMBL8863144 0.97 MEN1 (0.61) MEN1KMT2AMAPTPOLBMMP13
SCHEMBL8520497 0.90 MEN1 (0.65) MEN1KMT2AMAPTPOLBMMP13
SCHEMBL8863247 0.85 MEN1 (0.62) MEN1KMT2AMAPTPOLBMMP13
SCHEMBL8863253 0.85 MEN1 (0.62) MEN1KMT2AMAPTPOLBMMP13
SCHEMBL9054819 0.83 KMT2A (0.66) MEN1KMT2AMAPTCASP1HSD17B10
SCHEMBL9054817 0.83 KMT2A (0.66) MEN1KMT2AMAPTCASP1HSD17B10
SCHEMBL8863150 0.82 MEN1 (0.58) MEN1KMT2AMAPTPOLBMMP13
SCHEMBL8863153 0.82 MEN1 (0.58) MEN1KMT2AMAPTPOLBMMP13

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-5665887-A Methine compound FUJI PHOTO FILM CO., LTD. (JP) 1997-09-09 — — US disclosed
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