Trimethylammonium

Trimethylammonium

SCHEMBL28659603

CN(C)C.O=C(O[N+](=O)[O-])c1ccccc1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.48
▸ LMNA P02545 2/20 0.47
▸ F2 P00734 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ PKM P14618 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ TDP1 Q9NUW8 2/20 0.42
▸ CES2 O00748 1/20 0.42
▸ CES1 P23141 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MDM2 Q00987 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ ALOX5 P09917 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
Methyl Alcohol SCHEMBL16401801 0.92 TSHR (0.52) TSHRLMNAF2ALDH1A1KMT2A
SCHEMBL36888 0.92 LMNA (0.54) TSHRLMNAF2ALDH1A1KMT2A
Hydrogen Peroxide SCHEMBL28253326 0.92 LMNA (0.54) TSHRLMNAF2ALDH1A1KMT2A
Hydrogen Sulfide SCHEMBL27546326 0.90 LMNA (0.52) TSHRLMNAF2ALDH1A1KMT2A
Bromide SCHEMBL26122064 0.90 LMNA (0.52) TSHRLMNAF2ALDH1A1KMT2A
Ammonia Solution, Strong SCHEMBL28091072 0.90 LMNA (0.52) TSHRLMNAF2ALDH1A1KMT2A
SCHEMBL28276150 0.90 LMNA (0.52) TSHRLMNAF2ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL11176721 0.90 LMNA (0.52) TSHRLMNAF2ALDH1A1KMT2A
Boric Acid SCHEMBL28807988 0.87 LMNA (0.48) TSHRLMNAF2ALDH1A1KMT2A
Tetrylammonium SCHEMBL10763651 0.83 LMNA (0.45) TSHRLMNAF2ALDH1A1KMT2A

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
CN-109180048-B Nano precursor medium transmission inhibitor and preparation method thereof 江苏苏博特新材料股份有限公司 2021-12-17 — — CN disclosed
Send feedback