SCHEMBL29618255

SCHEMBL29618255

NC(=O)c1ccc[n+]([O-])c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
NNMT P40261 1/20 0.60
L3MBTL1 Q9Y468 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAPT P10636 2/20 0.48
CYP3A4 P08684 2/20 0.48
POLB P06746 1/20 0.48
PARP1 P09874 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
GPR84 Q9NQS5 2/20 0.47
ABL1 P00519 1/20 0.44
RIN1 Q13671 1/20 0.44
HSP90AA1 P07900 2/20 0.43

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
SCHEMBL128526 1.00 MEN1 (0.68) MEN1KMT2ANNMTL3MBTL1NPSR1
SCHEMBL4120256 0.91 MEN1 (0.58) MEN1KMT2ANNMTL3MBTL1NPSR1
Trifluoroacetic Acid SCHEMBL29618259 0.88 MEN1 (0.59) MEN1KMT2ANNMTL3MBTL1NPSR1
Oxiniacic Acid SCHEMBL129209 0.81 MEN1 (1.00) MEN1KMT2AL3MBTL1CYP3A4TSHR
Oxiniacic Acid SCHEMBL29766756 0.81 MEN1 (1.00) MEN1KMT2AL3MBTL1CYP3A4TSHR
SCHEMBL2772084 0.79 MEN1 (0.68) MEN1KMT2ANNMTL3MBTL1CYP3A4
SCHEMBL9083270 0.79 MEN1 (0.68) MEN1KMT2ANNMTL3MBTL1CYP3A4
SCHEMBL5699279 0.79 KMT2A (0.57) MEN1KMT2ANNMTL3MBTL1RECQL
SCHEMBL212234 0.79 MEN1 (0.68) MEN1KMT2ANNMTL3MBTL1MAPT
SCHEMBL25846405 0.79 MEN1 (0.57) MEN1KMT2ANNMTL3MBTL1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023144235-A1 METHODS FOR MONITORING AND TREATING WARBURG EFFECT IN PATIENTS WITH PI3K-RELATED DISORDERS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2023-08-03 WO claimed
EP-4472735-A2 METHODS OF DETECTING AND TREATING CEREBRAL ANEURYSMS University of Pittsburgh - of the Commonwealth System of Higher Education (US) 2024-12-11 EP disclosed
EP-4243822-A1 USE OF PHARMACEUTICAL DOSES OF NIACIN, OR AN ANALOG THEREOF, FOR THE REGRESSION OR REVERSAL OF FIBROSIS AND/OR LIVER CIRRHOSIS The Regents of The University of California (US) 2023-09-20 EP disclosed
WO-2023150294-A2 METHODS OF DETECTING AND TREATING CEREBRAL ANEURYSMS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2023-08-10 WO disclosed
WO-2023144235-A1 METHODS FOR MONITORING AND TREATING WARBURG EFFECT IN PATIENTS WITH PI3K-RELATED DISORDERS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2023-08-03 WO disclosed
WO-2023044455-A2 RNA STABILIZATION TEAM MEDICAL LLC (US) 2023-03-23 WO disclosed
CN-115724847-A 2, 3-dihydroimidazo [1,2-c ] quinazoline substituted derivatives 拜耳知识产权有限责任公司 2023-03-03 CN disclosed
CN-101631464-B 2,3-dihydroimidazo [1,2-c ] quinazoline substituted derivatives for the treatment of hyperproliferative diseases and angiogenesis-related diseases 拜耳知识产权有限责任公司 2022-12-06 CN disclosed
CN-108774232-B 2, 3-dihydroimidazo [1,2-c ] quinazoline substituted derivatives 拜耳知识产权有限责任公司 2022-08-09 CN disclosed
WO-2022117016-A1 HYDROXAMATE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 深圳微芯生物科技股份有限公司 2022-06-09 WO disclosed
CN-105254634-B 2, 3-dihydroimidazo [1,2-c ] quinazoline substituted derivatives useful in the treatment of hyperproliferative diseases and angiogenesis-related diseases 拜耳知识产权有限责任公司 2022-05-27 CN disclosed
WO-2022104289-A1 USE OF PHARMACEUTICAL DOSES OF NIACIN, OR AN ANALOG THEREOF, FOR THE REGRESSION OR REVERSAL OF FIBROSIS AND/OR LIVER CIRRHOSIS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-05-19 WO disclosed