SCHEMBL25724548

SCHEMBL25724548

Nc1ccc2c(c1)c(=O)n(CCCN1CCOCC1)c(=O)n2CCN1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.46
▸ CASP1 P29466 4/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ CASP7 P55210 3/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KLK7 P49862 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ NR4A1 P22736 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ HSD17B10 Q99714 3/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ PARG Q86W56 4/20 0.43
▸ HDAC1 Q13547 1/20 0.42
▸ ABCB1 P08183 2/20 0.41
▸ CTSK P43235 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ PLK1 P53350 1/20 0.40

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
SCHEMBL25724540 0.90 PARG (0.49) KDM4EALDH1A1KMT2APARGPLK1
SCHEMBL25423174 0.86 ALDH1A1 (0.45) KDM4EALDH1A1MEN1KMT2AHSD17B10
SCHEMBL30478139 0.86 ALDH1A1 (0.45) KDM4EALDH1A1MEN1KMT2AHSD17B10
SCHEMBL25724544 0.85 PARG (0.46) KDM4EALDH1A1KMT2APARGHDAC1
SCHEMBL25724546 0.84 PARG (0.48) KDM4EALDH1A1KMT2APARGPLK1
SCHEMBL25724418 0.84 PARG (0.46) KDM4EALDH1A1MEN1KMT2APARG
SCHEMBL30478129 0.84 PARG (0.43) KDM4EALDH1A1MEN1KMT2APARG
SCHEMBL25423746 0.84 PARG (0.43) KDM4EALDH1A1MEN1KMT2APARG
SCHEMBL25724477 0.83 PARG (0.59) KDM4EALDH1A1MEN1KMT2AHSD17B10
SCHEMBL30478132 0.83 HDAC1 (0.44) KDM4EALDH1A1MEN1KMT2APARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023119320-A1 A PREPARATION OF QUINAZOLINEDIONES AND USE THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH AN INDIAN REGISTERED BODY INCORPORATED UNDER THE REGN. OF SOC. ACT (ACT XXI OF 1860) (IN) 2023-06-29 — — WO disclosed
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