SCHEMBL8577482

SCHEMBL8577482

O=C(O)CCC(=S)Nc1cccc(-n2nnnc2S)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.40
▸ ALDH1A1 P00352 7/20 0.39
▸ LMNA P02545 4/20 0.39
▸ L3MBTL1 Q9Y468 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ IDO1 P14902 1/20 0.38
▸ TDO2 P48775 1/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ TP53 P04637 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35

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
SCHEMBL10529651 0.88 MEN1 (0.48) PKMALDH1A1LMNAL3MBTL1MAPT
SCHEMBL11108936 0.86 ALDH1A1 (0.40) PKMALDH1A1LMNAL3MBTL1MAPT
SCHEMBL10955853 0.83 ALDH1A1 (0.43) PKMALDH1A1LMNAL3MBTL1MAPT
SCHEMBL8172135 0.83 ALDH1A1 (0.43) PKMALDH1A1LMNAL3MBTL1MAPT
SCHEMBL14498648 0.81 TSHR (0.46) LMNAMAPTPOLBRAB9AMEN1
SCHEMBL14431797 0.80 POLB (0.42) PKMALDH1A1LMNAL3MBTL1MAPT
SCHEMBL14032668 0.80 ALDH1A1 (0.46) PKMALDH1A1LMNAL3MBTL1MAPT
SCHEMBL2979236 0.79 L3MBTL1 (0.41) PKMALDH1A1LMNAL3MBTL1MAPT
SCHEMBL1537861 0.79 IDO1 (0.54) ALDH1A1LMNAL3MBTL1MAPTPOLB
SCHEMBL29870318 0.79 IDO1 (0.54) ALDH1A1LMNAL3MBTL1MAPTPOLB

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
US-5718994-A SILVER HALIDE BLACK AND WHITE PHOTOGRAPHY; OPAQUE REFLECTING SUPPORT AND HYDROPHILIC COLLOID AGFA-GEVAERT, N.V. (BE) 1998-02-17 — — US disclosed
EP-0610608-B1 Silver halide light-sensitive photographic material for use as a laser recorded medical hardcopy material and method of processing AGFA GEVAERT NV (BE) 1996-09-11 — — EP disclosed
EP-0679937-A2 Material and method for printing radiological images AGFA-GEVAERT N.V. (BE) 1995-11-02 — — EP disclosed
EP-0610608-A1 Silver halide light-sensitive photographic material for use as a laser recorded medical hardcopy material and method of processing AGFA-GEVAERT N.V. (BE) 1994-08-17 — — EP disclosed
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