SCHEMBL8629005

SCHEMBL8629005

CCOC(=O)c1sccc1C(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 5/20 0.46
PKM P14618 4/20 0.46
RAB9A P51151 4/20 0.46
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 3/20 0.46
HPGD P15428 2/20 0.46
MEN1 O00255 1/20 0.46
NFKB1 P19838 1/20 0.46
STAT1 P42224 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
MAPK8 P45983 1/20 0.46
MAPK9 P45984 1/20 0.46
MAPK10 P53779 1/20 0.46
KDM4E B2RXH2 4/20 0.42
TSHR P16473 2/20 0.41
GAA P10253 3/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL15614500 0.85 KMT2A (0.47) KMT2AALDH1A1PKMRAB9AMAPT
SCHEMBL9237257 0.81 MAPK8 (0.50) KMT2AALDH1A1PKMRAB9AMAPT
SCHEMBL20598702 0.78 ALDH1A1 (0.49) KMT2AALDH1A1PKMRAB9AMAPT
SCHEMBL30687394 0.78 MAPK8 (0.50) KMT2AALDH1A1PKMRAB9AMAPT
SCHEMBL3053745 0.78 PKM (0.67) KMT2AALDH1A1PKMRAB9AMAPT
SCHEMBL3280235 0.77 KMT2A (0.76) KMT2AALDH1A1PKMRAB9AMAPT
SCHEMBL5078857 0.76 TSHR (0.55) KMT2AALDH1A1PKMRAB9AMAPT
SCHEMBL13469238 0.76 PKM (0.50) KMT2AALDH1A1PKMRAB9AMAPT
SCHEMBL9710339 0.76 CA12 (0.52) KMT2AALDH1A1PKMRAB9AMAPT
SCHEMBL14043705 0.75 NPC1 (0.52) KMT2AALDH1A1PKMRAB9AMAPT

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