SCHEMBL8630633

SCHEMBL8630633

N#Cc1ccsc1C(=O)NP(N)(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 3/20 0.40
ALOX15 P16050 2/20 0.38
LMNA P02545 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 8/20 0.36
KMT2A Q03164 8/20 0.36
MAPT P10636 4/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HPGD P15428 1/20 0.36
BLM P54132 1/20 0.36
USP2 O75604 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 1/20 0.36
CRHBP P24387 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
SCHEMBL506452 0.75 KDM4E (0.41) ALDH1A1KDM4EALOX15LMNANPSR1
SCHEMBL8630797 0.75 NPC1 (0.51) KDM4EPOLBSMN1; SMN2RAB9AKMT2A
SCHEMBL8631451 0.75 GAA (0.51) ALDH1A1POLBSMN1; SMN2RAB9AMEN1
SCHEMBL8630229 0.75 ALDH1A1 (0.43) ALDH1A1KDM4ENPSR1POLBRAB9A
SCHEMBL4949422 0.73 LMNA (0.43) ALDH1A1KDM4EALOX15LMNANPSR1
SCHEMBL12622649 0.73 POLB (0.52) ALDH1A1KDM4ELMNANPSR1POLB
SCHEMBL8633756 0.72 KMT2A (0.37) ALDH1A1KDM4ERAB9AMEN1KMT2A
SCHEMBL3056218 0.72 KDM4E (0.42) ALDH1A1KDM4EALOX15LMNANPSR1
SCHEMBL8626891 0.71 KMT2A (0.31) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL5868810 0.70 LMNA (0.45) ALDH1A1KDM4EALOX15LMNANPSR1

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