Trimethylammonium

Trimethylammonium

SCHEMBL7594552

CC(=O)Oc1cccc2cc(CBr)cnc12.CN(C)C

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.42
PDE10A Q9Y233 2/20 0.41
HPGDS O60760 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
LMNA P02545 3/20 0.40
USP2 O75604 1/20 0.38
KDM4E B2RXH2 3/20 0.38
POLB P06746 2/20 0.38
GAA P10253 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
APEX1 P27695 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
HTR2C P28335 1/20 0.37
MCHR1 Q99705 1/20 0.37
TMIGD3 P0DMS9 1/20 0.36

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
SCHEMBL7594203 0.96 PARP1 (0.45) PARP1PDE10AHPGDSL3MBTL1LMNA
SCHEMBL7597610 0.81 PARP1 (0.43) PARP1PDE10AHPGDSL3MBTL1LMNA
Bromide SCHEMBL7460540 0.80 PARP1 (0.42) PARP1PDE10AHPGDSL3MBTL1LMNA
Jineol Acetate SCHEMBL8608939 0.77 ALDH1A1 (0.51) PDE10AHPGDSL3MBTL1LMNAKDM4E
SCHEMBL7466188 0.77 PARP1 (0.56) PARP1PDE10AHPGDSL3MBTL1LMNA
SCHEMBL27444535 0.76 PDE10A (0.43) PARP1PDE10AHPGDSL3MBTL1LMNA
SCHEMBL21044049 0.72 PDE10A (0.52) PARP1PDE10AL3MBTL1LMNAKDM4E
SCHEMBL250301 0.70 LMNA (0.65) L3MBTL1LMNAUSP2KDM4EPOLB
SCHEMBL28012242 0.70 KDM4E (0.44) PDE10AHPGDSL3MBTL1LMNAUSP2
SCHEMBL8611942 0.69 HPGDS (0.58) PARP1PDE10AHPGDSL3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0747362-B1 Substituted quinoline herbicide intermediates and process BASF AG (DE) 2002-10-30 EP disclosed
US-5633380-A DEHALOGENATED, DESALTED HERBICIDES AMERICAN CYANAMID COMPANY (US) 1997-05-27 US disclosed
EP-0747362-A1 Substituted quinoline herbicide intermediates and process American Cyanamid Company (US) 1996-12-11 EP disclosed