SCHEMBL30375576

SCHEMBL30375576

O=C1c2cc([N+](=O)[O-])ccc2-c2cc([N+](=O)[O-])c([N+](=O)[O-])cc21

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 3/20 0.75
S100A4 P26447 2/20 0.75
ALDH1A1 P00352 4/20 0.68
HIF1A Q16665 3/20 0.68
CYP1A2 P05177 2/20 0.68
HSD17B10 Q99714 2/20 0.68
CYP3A4 P08684 2/20 0.68
TP53 P04637 2/20 0.68
MAPK1 P28482 2/20 0.68
CYP2D6 P10635 1/20 0.68
CYP2C9 P11712 1/20 0.68
CYP2C19 P33261 1/20 0.68
STAT6 P42226 1/20 0.68
PHLPP2 Q6ZVD8 1/20 0.68
BCHE P06276 1/20 0.66
ACHE P22303 1/20 0.66
CES1 P23141 1/20 0.66
TDP1 Q9NUW8 3/20 0.54
MAPT P10636 2/20 0.54
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL9623526 1.00 PTPRC (0.75) PTPRCS100A4ALDH1A1HIF1ACYP1A2
SCHEMBL30375977 0.90 PTPRC (0.84) PTPRCS100A4ALDH1A1HIF1ACYP1A2
SCHEMBL8104719 0.90 PTPRC (0.84) PTPRCS100A4ALDH1A1HIF1ACYP1A2
SCHEMBL30349970 0.90 PTPRC (0.91) PTPRCS100A4ALDH1A1HIF1ACYP1A2
SCHEMBL1237207 0.90 PTPRC (0.91) PTPRCS100A4ALDH1A1HIF1ACYP1A2
SCHEMBL2599382 0.86 PTPRC (1.00) PTPRCS100A4ALDH1A1HIF1ACYP1A2
SCHEMBL29559206 0.86 PTPRC (1.00) PTPRCS100A4ALDH1A1HIF1ACYP1A2
SCHEMBL2772220 0.86 PTPRC (0.83) PTPRCS100A4ALDH1A1HIF1ACYP1A2
SCHEMBL11207794 0.86 PTPRC (0.83) PTPRCS100A4ALDH1A1HIF1ACYP1A2
SCHEMBL8091665 0.86 PTPRC (0.78) PTPRCS100A4ALDH1A1HIF1ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116282078-A Salt recovery solution and method of using the same 阿克福特斯技术有限公司 2023-06-23 CN disclosed
CN-111225875-B Salt recovery solution and method of using salt recovery solution 阿克福特斯技术有限公司 2023-04-11 CN disclosed