SCHEMBL8628173

SCHEMBL8628173

NP(N)(=O)NC(=O)c1csc(C(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.36
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 3/20 0.33
NPC1 O15118 3/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALOX12 P18054 1/20 0.32
MAPK1 P28482 1/20 0.32
DAO P14920 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL8631005 0.75 ALDH1A1 (0.37) RAB9AALDH1A1SMN1; SMN2L3MBTL1LMNA
SCHEMBL8705579 0.75 DAO (0.53) RAB9AALDH1A1SMN1; SMN2L3MBTL1LMNA
SCHEMBL8631119 0.75 DAO (0.53) RAB9AALDH1A1LMNANPC1TDP1
SCHEMBL10935869 0.74 KDM4E (0.38) ALDH1A1L3MBTL1LMNAGAAPOLB
SCHEMBL8630255 0.73 DAO (0.50) RAB9AALDH1A1SMN1; SMN2L3MBTL1LMNA
SCHEMBL8630112 0.70 GAA (0.51) RAB9AALDH1A1SMN1; SMN2L3MBTL1NPC1
SCHEMBL8629944 0.69 DAO (0.56) RAB9AALDH1A1SMN1; SMN2NPC1POLB
SCHEMBL10936492 0.67 FURIN (0.50) RAB9AALDH1A1SMN1; SMN2L3MBTL1GAA
SCHEMBL8654622 0.66 CES2 (0.48) RAB9ASMN1; SMN2LMNANPC1
SCHEMBL10936559 0.66 MPO (0.44) ALDH1A1L3MBTL1LMNAGAAPOLB

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