SCHEMBL29906404

SCHEMBL29906404

O=[N+]([O-])c1ccc(Cl)c(CBr)c1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.60
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 1/20 0.51
VCAM1 P19320 1/20 0.50
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
TDP1 Q9NUW8 2/20 0.44
CYP3A4 P08684 1/20 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
SCHEMBL842908 1.00 HSD17B10 (0.60) HSD17B10LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL27796780 0.86 HSD17B10 (0.56) HSD17B10LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL508763 0.85 HSD17B10 (0.60) HSD17B10LMNASMN1; SMN2ALDH1A1VCAM1
SCHEMBL29672035 0.85 HSD17B10 (0.60) HSD17B10LMNASMN1; SMN2ALDH1A1VCAM1
SCHEMBL863249 0.83 HSD17B10 (0.62) HSD17B10LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL13241715 0.83 HSD17B10 (0.62) HSD17B10LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL260864 0.82 CYP1A2 (0.47) HSD17B10LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL29368452 0.82 CYP1A2 (0.47) HSD17B10LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL2182437 0.81 HSD17B10 (0.60) HSD17B10LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL8262558 0.81 HSD17B10 (0.60) HSD17B10LMNASMN1; SMN2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4373809-A1 SUBSTITUTED PYRIDONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS Novartis AG (CH) 2024-05-29 EP disclosed
CN-117980292-A Substituted pyridone compounds for the treatment of orthomyxoviral infections 诺华股份有限公司 2024-05-03 CN disclosed
CN-116514728-A Quinazoline derivative and application thereof 赛诺哈勃药业(成都)有限公司 2023-08-01 CN disclosed
CN-115925711-A Substituted pyrazolo [1,5-a ] pyrimidines and their use in treating medical disorders BIAL研发投资股份有限公司 2023-04-07 CN disclosed
CN-109562111-B CK2 inhibitors, compositions and methods thereof 北极星药业股份有限公司 2023-04-04 CN disclosed
WO-2023002443-A1 SUBSTITUTED PYRIDONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS NOVARTIS AG (CH) 2023-01-26 WO disclosed
CN-107001379-B Substituted pyrazolo [1,5-a ] pyrimidines and their use in the treatment of medical disorders BIAL研发投资股份有限公司 2022-11-01 CN disclosed
WO-2022184904-A1 PHOTOREDOX RADICAL BENZYLATION PROCESS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2022-09-09 WO disclosed