Trimethylammonium

Trimethylammonium

SCHEMBL9045332

CN(C)C.COc1cc(OC)nc(Cl)n1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 2/20 0.38
PDE2A O00408 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL150750 0.93 ALDH1A1 (0.52) ALDH1A1HTTL3MBTL1SMN1; SMN2LMNA
SCHEMBL14225685 0.83 KMT2A (0.57) ALDH1A1HTTL3MBTL1SMN1; SMN2LMNA
SCHEMBL2339978 0.81 ALDH1A1 (0.47) ALDH1A1HTTL3MBTL1SMN1; SMN2LMNA
SCHEMBL11834614 0.79 ALDH1A1 (0.46) ALDH1A1HTTL3MBTL1SMN1; SMN2LMNA
SCHEMBL2131428 0.79 ALDH1A1 (0.70) ALDH1A1HTTSMN1; SMN2LMNACYP1A2
SCHEMBL12101919 0.77 ALDH1A1 (0.44) ALDH1A1HTTL3MBTL1SMN1; SMN2LMNA
SCHEMBL9433456 0.77 ALDH1A1 (0.41) ALDH1A1HTTL3MBTL1SMN1; SMN2LMNA
SCHEMBL27903823 0.76 CYP1A2 (0.49) ALDH1A1HTTSMN1; SMN2LMNACYP1A2
SCHEMBL22576253 0.74 ALDH1A1 (0.42) ALDH1A1HTTL3MBTL1SMN1; SMN2LMNA
SCHEMBL9432930 0.74 ALDH1A1 (0.42) ALDH1A1HTTL3MBTL1SMN1; SMN2LMNA

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-0700907-A1 Process for producing pyrimidine derivative SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-03-13 EP disclosed