SCHEMBL9329983

SCHEMBL9329983

O=[C]C(NC(=O)c1cc2cc(O)c(O)cc2oc1=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.53
▸ RAB9A P51151 6/20 0.49
▸ GPR35 Q9HC97 4/20 0.48
▸ MAOB P27338 3/20 0.48
▸ MAOA P21397 3/20 0.48
▸ NPC1 O15118 5/20 0.44
▸ HTT P42858 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ F12 P00748 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43

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
SCHEMBL8314839 0.87 POLB (0.70) POLBRAB9AGPR35MAOBMAOA
SCHEMBL9329500 0.76 MAOB (0.46) MAOBMAOAKMT2A
SCHEMBL8082564 0.72 MEN1 (0.49) POLBHTTKMT2AKDM4EMEN1
SCHEMBL6490749 0.72 MAOB (0.72) POLBRAB9AGPR35MAOBMAOA
SCHEMBL9329987 0.71 NPC1 (0.53) RAB9AGPR35MAOBMAOANPC1
SCHEMBL9331303 0.71 TOP1 (0.50) POLBKDM4EGAAALDH1A1
SCHEMBL29628919 0.70 GPR35 (0.76) GPR35MAOBMAOAKDM4EALDH1A1
SCHEMBL980268 0.70 GPR35 (0.76) GPR35MAOBMAOAKDM4EALDH1A1
SCHEMBL15744786 0.70 ALDH1A1 (0.74) POLBGPR35KMT2AKDM4EMEN1
SCHEMBL34468754 0.69 POLB (1.00) POLBRAB9AGPR35MAOBMAOA

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
US-4788185-A Cephalosporin compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-11-29 — — US 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
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