SCHEMBL20385992

SCHEMBL20385992

CC(=O)NCc1ccc2nc[nH]c2c1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 10/20 0.59
▸ POLB P06746 1/20 0.57
▸ ABL1 P00519 1/20 0.50
▸ KDR P35968 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ MAPK1 P28482 1/20 0.48

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
SCHEMBL14365718 0.86 QPCT (0.63) QPCTPOLBABL1KDRL3MBTL1
SCHEMBL14396880 0.85 QPCT (0.59) QPCTPOLBABL1KDRL3MBTL1
SCHEMBL21565623 0.85 QPCT (0.56) QPCTPOLBABL1KDRHTT
SCHEMBL19806109 0.79 QPCT (0.50) QPCTPOLBABL1KDRL3MBTL1
SCHEMBL12858794 0.77 MAPT (0.49) QPCTPOLBKDM4EALDH1A1MAPT
SCHEMBL29902860 0.77 NAMPT (0.56) QPCTPOLBABL1L3MBTL1HTT
SCHEMBL29902873 0.77 NAMPT (0.56) QPCTPOLBABL1L3MBTL1HTT
SCHEMBL30265304 0.76 HTT (0.73) POLBL3MBTL1HTTHDAC6MAPK1
SCHEMBL12633973 0.76 QPCT (0.47) QPCTPOLBL3MBTL1HTT
SCHEMBL5151137 0.75 NAMPT (0.55) QPCTPOLBL3MBTL1HTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3568133-B1 CELL-PROTECTIVE COMPOUNDS AND THEIR USE ETH ZUERICH (CH) 2023-12-13 — — EP disclosed
WO-2019179890-A1 COMPOUNDS FOR TREATING CNS- AND NEURODEGENERATIVE DISEASES ETH ZURICH (CH) 2019-09-26 — — WO disclosed
EP-3543231-A1 COMPOUNDS FOR TREATING CNS- AND NEURODEGENERATIVE DISEASES ETH Zurich (CH) 2019-09-25 — — EP disclosed
WO-2018130537-A1 CELL-PROTECTIVE COMPOUNDS AND THEIR USE ETH Zürich (CH) 2018-07-19 — — WO disclosed
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