SCHEMBL8633121

SCHEMBL8633121

NP(N)(=O)NC(=S)Cc1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
PLA2G1B P04054 2/20 0.42
ATG4B Q9Y4P1 2/20 0.42
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 1/20 0.38
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CTBP2 P56545 1/20 0.38
LMNA P02545 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37

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
SCHEMBL8634016 0.82 KMT2A (0.42) GAAALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL4549801 0.76 PLA2G1B (0.48) GAAPLA2G1BATG4BALDH1A1RAB9A
SCHEMBL9531767 0.70 GAA (0.51) GAAPLA2G1BATG4BALDH1A1RAB9A
SCHEMBL6895007 0.69 PLA2G1B (0.48) GAAPLA2G1BATG4BALDH1A1RAB9A
Flurofamide SCHEMBL635029 0.68 MEN1 (0.50) RAB9ACYP2D6KMT2ASMN1; SMN2CA1
SCHEMBL27909467 0.68 HTT (0.50) GAAPLA2G1BATG4BALDH1A1TDP1
SCHEMBL13926590 0.67 GAA (0.56) GAAALDH1A1RAB9AEGFRERBB2
SCHEMBL7493890 0.66 PLA2G1B (0.50) GAAPLA2G1BATG4BALDH1A1RAB9A
SCHEMBL10652821 0.66 KMT2A (0.39) GAAPLA2G1BATG4BALDH1A1RAB9A
SCHEMBL600783 0.66 GAA (0.54) GAAALDH1A1RAB9AEGFRERBB2

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