SCHEMBL8028468

SCHEMBL8028468

CC(=O)Nc1ccc2c(C#N)c(O)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.51
▸ ESR2 Q92731 1/20 0.51
▸ HSD17B1 P14061 2/20 0.46
▸ HSD17B2 P37059 2/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ MAPT P10636 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ GLA P06280 1/20 0.45
▸ TNNI3 P19429 1/20 0.45
▸ TNNT2 P45379 1/20 0.45
▸ TNNC1 P63316 1/20 0.45
▸ RUNX1 Q01196 1/20 0.45
▸ CBFB Q13951 1/20 0.45
▸ PKM P14618 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ POLB P06746 1/20 0.41

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
SCHEMBL8030049 0.81 ALDH1A1 (0.50) HSD17B1HSD17B2ALDH1A1MEN1KMT2A
SCHEMBL8027432 0.78 HSD17B1 (0.49) ESR1ESR2HSD17B1HSD17B2ALDH1A1
SCHEMBL8032034 0.78 HSD17B1 (0.49) ESR1ESR2HSD17B1HSD17B2ALDH1A1
SCHEMBL5754358 0.75 ALDH1A1 (0.54) HSD17B1HSD17B2ALDH1A1MEN1KMT2A
SCHEMBL7754593 0.75 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL29963136 0.74 HSD17B1 (0.76) HSD17B1HSD17B2ALDH1A1MEN1KMT2A
SCHEMBL1122275 0.74 HSD17B1 (0.76) HSD17B1HSD17B2ALDH1A1MEN1KMT2A
SCHEMBL8577441 0.74 MEN1 (0.68) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL6746166 0.72 MAPT (0.62) HSD17B1HSD17B2ALDH1A1MEN1KMT2A
SCHEMBL8576078 0.72 MEN1 (0.66) ALDH1A1MEN1KMT2AMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0603954-B1 Immunoassay using a 4-hydroxy or 4-alkoxyarylacetamide as stabilizer JOHNSON & JOHNSON CLIN DIAG (US) 2000-03-08 — — EP disclosed
EP-0603953-B1 Use of 4' of 5'-hydroxy and 4'- or 5'-alkoxy-substituted electron transfer agents in compositions, elements, test kits and analytical methods JOHNSON & JOHNSON CLIN DIAG (US) 1999-02-17 — — EP disclosed
US-5736335-A Dry elements, test devices, test kits and methods for chemiluminescent detection of analytes using peroxidase-labeled reagents EASTMAN KODAK COMPANY (US) 1998-04-07 — — US disclosed
US-5641635-A Dry elements, test devices, test kits and methods for chemiluminescent detection of analytes using peroxidase-labeled reagents EASTMAN KODAK COMPANY (US) 1997-06-24 — — US disclosed
US-5372931-A Use of 4'-hydroxy- and 4'-alkoxy-substituted electron transfer agents in compositions, elements, test kits and analytical methods EASTMAN KODAK COMPANY (US) 1994-12-13 — — US disclosed
US-5372932-A Peroxidase-labeled immunoreactant; stabiliztion with a 4-hydroxy or 4-alkoxyarylacetamide EASTMAN KODAK COMPANY (US) 1994-12-13 — — US disclosed
EP-0603953-A1 Use of 4' of 5'-hydroxy and 4'- or 5'-alkoxy-substituted electron transfer agents in compositions, elements, test kits and analytical methods Johnson & Johnson Clinical Diagnostics, Inc. (US) 1994-06-29 — — EP disclosed
EP-0603954-A2 Analytical element and immunoassay using a 4-hydroxy or 4-alkoxyarylacetamide as stabilizer Johnson & Johnson Clinical Diagnostics, Inc. (US) 1994-06-29 — — EP disclosed
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