Trimethylammonium

Trimethylammonium

SCHEMBL27367476

CN(C)C.NCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.59
LOXL2 Q9Y4K0 1/20 0.56
PYCR1 P32322 1/20 0.56
CYP1A2 P05177 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
LMNA P02545 2/20 0.53
ALDH1A1 P00352 4/20 0.50
ACHE P22303 1/20 0.50
SIGMAR1 Q99720 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ATM Q13315 1/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
CHRNB2 P17787 1/20 0.48
CHRNA4 P43681 1/20 0.48
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL43922 0.93 TSHR (0.67) TSHRLOXL2CYP1A2CYP2C19CYP2D6
SCHEMBL30504205 0.93 TSHR (0.67) TSHRLOXL2CYP1A2CYP2C19CYP2D6
Bromide SCHEMBL31513711 0.91 TSHR (0.65) TSHRLOXL2PYCR1CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL1017929 0.91 TSHR (0.65) TSHRLOXL2PYCR1CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL1970066 0.91 TSHR (0.65) TSHRLOXL2PYCR1CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL31687554 0.91 TSHR (0.65) TSHRLOXL2PYCR1CYP1A2CYP2C19
SCHEMBL1097545 0.81 PYCR1 (0.66) TSHRPYCR1CYP1A2CYP2C19CYP2D6
Nitrobenzene SCHEMBL11745249 0.80 LOXL2 (0.73) TSHRLOXL2CYP1A2CYP2C19CYP2D6
SCHEMBL12209734 0.79 FFAR1 (0.56) TSHRLOXL2PYCR1LMNAALDH1A1
SCHEMBL12209750 0.79 NFE2L2 (0.66) TSHRLOXL2CYP1A2LMNAALDH1A1

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
CN-101240119-B Carbon black reacted with diazonium salts and products CABOT CORP 2011-05-11 CN disclosed
CN-101240119-A Carbon black reacted with diazonium salts and products CABOT CORP (US) 2008-08-13 CN disclosed
CN-100351320-C Carbon black reacted with diazols, and products CABOT CORP (US) 2007-11-28 CN disclosed
CN-1088730-C Carbon black reacted with diazonium salts and products CABOT CORP (US) 2002-08-07 CN disclosed
CN-1321708-A Carbon black reacted with diazols, and products CABOT CORP (US) 2001-11-14 CN disclosed
CN-1064696-C Ink jet ink formulations contg. modified carbon products CABOT CORP (US) 2001-04-18 CN disclosed
CN-1175270-A Carbon black reacted with diazonium salts and products CABOT CORP (US) 1998-03-04 CN disclosed
CN-1160415-A Ink jet ink formulations contg. modified carbon products CABOT CORP (US) 1997-09-24 CN disclosed