SCHEMBL11057997

SCHEMBL11057997

O=C(O)c1cc(O)c(Cl)c2cc[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 3/20 0.46
▸ TPX2 Q9ULW0 3/20 0.46
▸ P2RX7 Q99572 6/20 0.43
▸ KEAP1 Q14145 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CSNK2A2 P19784 1/20 0.40
▸ CSNK2B P67870 1/20 0.40
▸ CSNK2A1 P68400 1/20 0.40
▸ F7 P08709 1/20 0.39
▸ F3 P13726 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ CDK2 P24941 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ GRIN2D O15399 1/20 0.37
▸ GRIN2A Q12879 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ GRIN2C Q14957 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 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
SCHEMBL15821851 0.88 P2RX7 (0.50) AURKATPX2P2RX7KEAP1CA1
SCHEMBL27185264 0.78 P2RX7 (0.48) AURKATPX2P2RX7KDM4EALDH1A1
SCHEMBL15797458 0.78 P2RX7 (0.55) AURKATPX2P2RX7KEAP1CSNK2A2
SCHEMBL15797491 0.75 P2RX7 (0.55) AURKATPX2P2RX7KEAP1
SCHEMBL15824103 0.75 P2RX7 (0.54) AURKATPX2P2RX7KEAP1CSNK2A2
SCHEMBL3914056 0.75 THRB (0.56) CA1CA2THRBCDK2KDM4E
SCHEMBL5187984 0.74 KEAP1 (0.49) AURKATPX2KEAP1CSNK2A2CSNK2B
SCHEMBL29764483 0.74 KEAP1 (0.49) AURKATPX2KEAP1CSNK2A2CSNK2B
SCHEMBL13983382 0.73 AURKA (0.49) AURKATPX2KEAP1CA1CA2
SCHEMBL15797467 0.73 P2RX7 (0.57) AURKATPX2P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4489165-A CONJUGATE OF LIGAND, SPACER, AND CHROMOGEN BECTON DICKINSON AND COMPANY (US) 1984-12-18 — — US disclosed
EP-0115332-A2 Chromogenic tracers for use in an assay Becton Dickinson and Company (US) 1984-08-08 — — EP disclosed
EP-0018731-B1 MACROMOLECULAR GLYCOSIDASE SUBSTRATES SYVA COMPANY (US) 1983-01-12 — — EP disclosed
US-4268663-A COMPRISING A POLYSACCHARIDE SUPPORT, AN AMINE-CONTAINING SPACER ARM, AND A CHROMOGEN ENZYMATICALLY LABILE-LINKED TO A MONOSACCHARIDE; IMMUNOASSAY SYVA COMPANY (US) 1981-05-19 — — US disclosed
EP-0018731-A1 Macromolecular glycosidase substrates SYVA COMPANY (US) 1980-11-12 — — EP disclosed
Send feedback