SCHEMBL22325923

SCHEMBL22325923

CC(=S)Nc1cccc(Br)c1Oc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TAS2R38 P59533 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ EPHX1 P07099 1/20 0.38
▸ HTT P42858 3/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HPGD P15428 2/20 0.37
▸ ALOX12 P18054 3/20 0.36
▸ PARP14 Q460N5 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ PKM P14618 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
SCHEMBL22325859 0.85 POLB (0.47) ALDH1A1NPSR1EPHX1HTTRAB9A
SCHEMBL22339032 0.83 TAS2R38 (0.42) TAS2R38ALDH1A1NPSR1EPHX1HTT
SCHEMBL22325986 0.82 TDP1 (0.36) L3MBTL1ALDH1A1NPSR1HTTRAB9A
SCHEMBL28600570 0.76 L3MBTL1 (0.64) TAS2R38L3MBTL1ALDH1A1HTTRAB9A
SCHEMBL11854131 0.70 TAS2R38 (0.61) TAS2R38L3MBTL1ALDH1A1EPHX1HTT
SCHEMBL11166000 0.70 ALDH1A1 (0.45) TAS2R38L3MBTL1ALDH1A1NPSR1EPHX1
SCHEMBL11313504 0.70 ALDH1A1 (0.48) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL201794 0.68 ALDH1A1 (0.67) TAS2R38L3MBTL1ALDH1A1NPSR1EPHX1
SCHEMBL13323864 0.68 TAS2R38 (0.60) TAS2R38ALDH1A1NPSR1EPHX1HTT
SCHEMBL31522017 0.68 TDP1 (0.52) ALDH1A1NPSR1HTTRAB9AMAPT

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
WO-2020162471-A1 PYRIDONE DERIVATIVE マルホ株式会社 2020-08-13 — — WO disclosed
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