SCHEMBL9329500

SCHEMBL9329500

O=[C]C(NC(=O)c1coc2cc(O)c(O)cc2c1=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 18/20 0.46
▸ ADORA2B P29275 4/20 0.46
▸ MAOA P21397 3/20 0.46
▸ KMT2A Q03164 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ ALOX15 P16050 1/20 0.39
▸ ALOX12 P18054 1/20 0.39

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
SCHEMBL8621258 0.91 MAOB (0.48) MAOBADORA2BMAOAALOX15ALOX12
SCHEMBL9329983 0.76 POLB (0.53) MAOBMAOAKMT2A
SCHEMBL8311797 0.76 MAOB (0.49) MAOBADORA2BMAOAACHEALOX15
SCHEMBL8082564 0.74 MEN1 (0.49) KMT2AALOX15
Hydrochloric Acid SCHEMBL10516530 0.73 MAOB (0.56) MAOBADORA2BMAOAACHEALOX15
SCHEMBL8122069 0.73 MAOB (0.48) MAOBADORA2BMAOAALOX15ALOX12
SCHEMBL8122057 0.73 MAOB (0.48) MAOBADORA2BMAOAALOX15ALOX12
SCHEMBL9329505 0.72 MAOB (0.48) MAOBADORA2BMAOAACHE
SCHEMBL10517674 0.71 MAOB (0.57) MAOBADORA2BMAOAACHEALOX15
SCHEMBL9331303 0.70 TOP1 (0.50) —

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 6 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
US-4839351-A Antibacterial compounds, and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-06-13 — — US 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-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-0160252-A2 Antibacterial compounds Takeda Chemical Industries, Ltd. (JP) 1985-11-06 — — EP disclosed
Send feedback