SCHEMBL8633093

SCHEMBL8633093

NP(N)(=O)NC(=O)c1ccsc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.36
▸ KMT2A Q03164 5/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ MAPT P10636 3/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ MAPK8 P45983 3/20 0.34
▸ PTK2 Q05397 1/20 0.34
▸ MAPK10 P53779 4/20 0.33
▸ GLA P06280 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HDAC1 Q13547 3/20 0.32
▸ HDAC3 O15379 2/20 0.32
▸ HDAC4 P56524 2/20 0.32
▸ HDAC7 Q8WUI4 2/20 0.32
▸ HDAC2 Q92769 2/20 0.32
▸ HDAC10 Q969S8 2/20 0.32
▸ HDAC11 Q96DB2 2/20 0.32
▸ HDAC8 Q9BY41 2/20 0.32

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
SCHEMBL8629918 0.80 KMT2A (0.38) ALDH1A1KMT2AMEN1MAPTMAPK1
SCHEMBL1347070 0.79 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1MAPTMAPK1
SCHEMBL8630712 0.79 NAMPT (0.47) ALDH1A1KMT2AMEN1MAPTMAPK1
SCHEMBL8630229 0.79 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1MAPK1MAPK10
SCHEMBL8709676 0.75 PTK2 (0.35) ALDH1A1KMT2AMEN1MAPTMAPK1
SCHEMBL8634464 0.75 MAPK8 (0.35) ALDH1A1KMT2AMEN1MAPTMAPK1
SCHEMBL1791803 0.72 — —
SCHEMBL8709952 0.72 RAB9A (0.39) KMT2AMEN1MAPTMAPK1KDM4E
SCHEMBL8630797 0.71 NPC1 (0.51) KMT2AMAPTKDM4EGAAHPGD
SCHEMBL8631451 0.71 GAA (0.51) ALDH1A1KMT2AMEN1MAPTMAPK1

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-5840917-A ADMINISTERING TO MAMMAL TO ERADICATE HELICOBACTER PYLORI TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-11-24 — — US disclosed
WO-1998042347-A1 PHARMACEUTICAL COMPOSITION CONTAINING A PHOSPHORYLAMIDE AND AN AYNTIBIOTIC TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-01 — — WO disclosed
EP-0852498-A1 PHOSPHORYLAMIDES, THEIR PREPARATION AND USE Takeda Chemical Industries, Ltd. (JP) 1998-07-15 — — EP disclosed
WO-1997011705-A1 PHOSPHORYLAMIDES, THEIR PREPARATION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-04-03 — — WO disclosed
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