SCHEMBL25426656

SCHEMBL25426656

COCCn1c(=O)c2cc([N+](=O)[O-])ccc2n(CCN2CCOCC2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PARG Q86W56 4/20 0.45
▸ TDP2 O95551 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ KMT2A Q03164 3/20 0.44
▸ CNR1 P21554 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ PKM P14618 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ CTSB P07858 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
SCHEMBL25425891 0.95 TDP2 (0.46) PARGTDP2TDP1KMT2ALMNA
SCHEMBL25422095 0.92 PARG (0.48) PARGTDP2TDP1KMT2ACNR1
SCHEMBL25424268 0.91 PARG (0.47) PARGTDP2TDP1KMT2ACNR1
SCHEMBL25426667 0.85 TDP2 (0.49) PARGTDP2TDP1KMT2ALMNA
SCHEMBL30478132 0.83 HDAC1 (0.44) PARGKMT2ALMNAMEN1MAPT
SCHEMBL25426033 0.83 HDAC1 (0.44) PARGKMT2ALMNAMEN1MAPT
SCHEMBL17434526 0.83 PARG (0.59) PARGKMT2ALMNAMEN1POLB
SCHEMBL17434558 0.83 CYP1A2 (0.60) PARGKMT2ALMNAMEN1POLB
SCHEMBL25425476 0.81 F2RL3 (0.50) PARGKMT2ALMNAMEN1PKM
SCHEMBL25423174 0.79 ALDH1A1 (0.45) PARGKMT2ALMNAMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4452952-A1 A PREPARATION OF QUINAZOLINEDIONES AND USE THEREOF Council of Scientific and Industrial Research, an Indian Registered Body Incorporated under Regn. of Soc. Act (Act XXI of 1860) (IN) 2024-10-30 — — EP disclosed
CN-118451062-A Preparation and use of quinazolinediones 科学与工业研究会(按照印度社会团体注册法案(1860年第21号法案)设立的注册机构) 2024-08-06 — — CN disclosed
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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