SCHEMBL8629918

SCHEMBL8629918

NP(N)(=O)NC(=O)c1ccsc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 4/20 0.37
MAPT P10636 3/20 0.37
MAPK1 P28482 2/20 0.37
PTK2 Q05397 1/20 0.35
MAPK8 P45983 4/20 0.35
MAPK10 P53779 2/20 0.34
KDM4E B2RXH2 2/20 0.34
GLA P06280 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
GCK P35557 1/20 0.33
NPC1 O15118 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PTPN2 P17706 1/20 0.33

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
SCHEMBL8633093 0.80 ALDH1A1 (0.36) KMT2AMEN1RAB9AALDH1A1MAPT
SCHEMBL8630712 0.80 NAMPT (0.47) KMT2AMEN1RAB9AALDH1A1MAPT
SCHEMBL21962695 0.77 MAPT (0.53) KMT2AMEN1RAB9AALDH1A1MAPT
SCHEMBL8631451 0.76 GAA (0.51) KMT2AMEN1RAB9AALDH1A1MAPT
SCHEMBL8634464 0.76 MAPK8 (0.35) KMT2AMEN1RAB9AALDH1A1MAPT
SCHEMBL8709676 0.76 PTK2 (0.35) KMT2AMEN1RAB9AALDH1A1MAPT
SCHEMBL8630000 0.75 RAB9A (0.38) KMT2AMEN1RAB9AALDH1A1MAPT
SCHEMBL8634421 0.74 DAO (0.55) KMT2AMEN1RAB9AMAPTMAPK1
SCHEMBL846619 0.74
SCHEMBL7222896 0.73 LMNA (0.46) KMT2AMEN1RAB9AALDH1A1MAPT

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 3 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
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