Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL23749093

CC(C)CCCc1ccc2ccccc2c1S(=O)(=O)O.N

nearest known ligand 0.40

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 6/20 0.40
CYP2D6 P10635 1/20 0.36
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
MTNR1A P48039 1/20 0.34
NQO2 P16083 1/20 0.34
KCNJ11 Q14654 1/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL10784294 0.99 SLC2A1 (0.41) SLC2A1CYP2D6KMT2AKDM4EALDH1A1
SCHEMBL3406839 0.93 SLC2A1 (0.40) SLC2A1CYP2D6KMT2AKDM4EALDH1A1
SCHEMBL10787254 0.93 SLC2A1 (0.40) SLC2A1CYP2D6KMT2AKDM4EALDH1A1
SCHEMBL11231146 0.92 SLC2A1 (0.39) SLC2A1CYP2D6KMT2AKDM4EALDH1A1
Ammonia Solution, Strong SCHEMBL23749194 0.92 SLC2A1 (0.39) SLC2A1CYP2D6KMT2AKDM4EALDH1A1
Ammonia Solution, Strong SCHEMBL3227083 0.85 SLC2A1 (0.46) SLC2A1CYP2D6GAATDP1MTNR1A
Ammonia Solution, Strong SCHEMBL3227074 0.85 SLC2A1 (0.46) SLC2A1CYP2D6GAATDP1MTNR1A
Potassium Ion SCHEMBL23749085 0.84 SIGMAR1 (0.35) SLC2A1KMT2AKDM4EALDH1A1LMNA
SCHEMBL23749171 0.84 SIGMAR1 (0.35) SLC2A1KMT2AKDM4EALDH1A1LMNA
Ammonia Solution, Strong SCHEMBL23749204 0.83 SLC2A1 (0.45) SLC2A1CYP2D6KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3864963-A1 OILY SUSPENSION AGROCHEMICAL COMPOSITION Kumiai Chemical Industry Co., Ltd. (JP) 2021-08-18 EP disclosed