SCHEMBL8629487

SCHEMBL8629487

NP(N)(=O)NC(=O)c1cc(Br)sc1Cl

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.35
HPGD P15428 3/20 0.34
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 1/20 0.34
RAB9A P51151 2/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
GSK3B P49841 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL8634421 0.82 DAO (0.55) DAOHPGDMAPTL3MBTL1KDM4E
SCHEMBL8634456 0.79 MAPT (0.41) DAOHPGDMAPTL3MBTL1KDM4E
SCHEMBL8709952 0.78 RAB9A (0.39) DAOHPGDMAPTL3MBTL1KDM4E
SCHEMBL8652678 0.76 DAO (0.41) DAOMAPTKDM4EKMT2AMAPK1
SCHEMBL456375 0.74 DAO (0.42) DAOHPGDMAPTL3MBTL1KDM4E
SCHEMBL157848 0.74 DAO (0.63) DAOKDM4EKMT2AGSK3BSMN1; SMN2
SCHEMBL8629918 0.71 KMT2A (0.38) HPGDMAPTKDM4ERAB9AKMT2A
SCHEMBL20269630 0.71 ABL1 (0.42) DAOHPGDMAPTKDM4EKMT2A
SCHEMBL8628998 0.71 MAPT (0.43) DAOHPGDMAPTL3MBTL1KDM4E
SCHEMBL8631463 0.70 DAO (0.53) DAOKDM4EGSK3B

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2859039-A2 ODOUR-CONTROL SUPERABSORBENT BASF SE (DE) 2015-04-15 EP disclosed
US-20130331260-A1 Odour-Control Superabsorbent BASF SE (DE) 2013-12-12 US disclosed
WO-2013182469-A2 ODOUR-CONTROL SUPERABSORBENT BASF SE (DE) 2013-12-12 WO disclosed
US-5840917-A ADMINISTERING TO MAMMAL TO ERADICATE HELICOBACTER PYLORI TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-11-24 US 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