SCHEMBL9329412

SCHEMBL9329412

CCOCCO/N=C(\[C]=O)c1csc(N)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32
KDM4E B2RXH2 1/20 0.31
PKM P14618 1/20 0.31
HTT P42858 1/20 0.31
TSHR P16473 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
SCHEMBL9329025 0.89 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL8316671 0.88 MAPT (0.46) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL9363035 0.88 MAPT (0.46) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL9329855 0.88 MAPT (0.46) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL8316834 0.88 MEN1 (0.51) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL9332012 0.88 MEN1 (0.51) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL8316832 0.88 MEN1 (0.51) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL9332189 0.87 NPC1 (0.42) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL8311583 0.86 MEN1 (0.44) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL9363888 0.86 MEN1 (0.44) ALDH1A1MAPTMEN1KMT2ANPC1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0225634-B1 Antibacterial compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1994-04-06 EP disclosed
EP-0160252-B1 Antibacterial compounds Takeda Chemical Industries, Ltd. (JP) 1992-08-26 EP disclosed
EP-0164122-B1 CEPHEM COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 1990-09-19 EP disclosed
US-4946837-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-08-07 US disclosed
EP-0164113-B1 3-PYRAZOLO(1,5-A)PYRIDINIUM CEPHEM COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1990-05-16 EP disclosed
US-4839351-A Antibacterial compounds, and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-06-13 US disclosed
US-4826834-A BACTERICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-05-02 US disclosed
US-4788185-A Cephalosporin compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-11-29 US disclosed
EP-0229369-A2 Cephalosporins, process for their preparation and pharmaceutical compositions containing them Takeda Chemical Industries, Ltd. (JP) 1987-07-22 EP disclosed
EP-0225634-A2 Antibacterial compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-06-16 EP disclosed
US-4665065-A 3-pyrazolo(1,5-aαpyridinium cephem compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-05-12 US disclosed
EP-0216385-A2 Antibacterial compounds Takeda Chemical Industries, Ltd. (JP) 1987-04-01 EP disclosed
EP-0164113-A2 3-pyrazolo(1,5-a)pyridinium cephem compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1985-12-11 EP disclosed
EP-0164122-A2 Cephem compounds Takeda Chemical Industries, Ltd. (JP) 1985-12-11 EP disclosed
EP-0160252-A2 Antibacterial compounds Takeda Chemical Industries, Ltd. (JP) 1985-11-06 EP disclosed