SCHEMBL25422902

SCHEMBL25422902

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

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ ALDH1A1 P00352 2/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ F2RL3 Q96RI0 2/20 0.42
▸ MAPT P10636 4/20 0.42
▸ PARG Q86W56 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ IRAK4 Q9NWZ3 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
SCHEMBL25425476 0.86 F2RL3 (0.50) KMT2AMEN1ALDH1A1CYP1A2F2RL3
SCHEMBL17434558 0.84 CYP1A2 (0.60) KMT2AMEN1ALDH1A1CYP1A2F2RL3
SCHEMBL17434526 0.81 PARG (0.59) KMT2AMEN1ALDH1A1CYP1A2F2RL3
SCHEMBL25724005 0.81 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1CYP1A2MAPT
SCHEMBL30478124 0.81 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1CYP1A2MAPT
SCHEMBL17434381 0.80 MEN1 (0.51) KMT2AMEN1CYP1A2MAPTPARG
SCHEMBL13863965 0.79 ALDH1A1 (0.61) KMT2AMEN1ALDH1A1F2RL3MAPT
SCHEMBL25422095 0.78 PARG (0.48) KMT2AMEN1ALDH1A1CYP1A2PARG
SCHEMBL25424268 0.78 PARG (0.47) KMT2AMEN1ALDH1A1CYP1A2PARG
SCHEMBL17434506 0.77 CYP1A2 (0.57) KMT2AMEN1ALDH1A1CYP1A2F2RL3

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
Send feedback