SCHEMBL7546007

SCHEMBL7546007

B.CCC[N+](C)(C)Cc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 3/20 0.69
MEN1 O00255 4/20 0.67
KMT2A Q03164 4/20 0.67
TP53 P04637 4/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
MAPK1 P28482 2/20 0.67
HTT P42858 5/20 0.65
ALDH1A1 P00352 4/20 0.52
TDP1 Q9NUW8 3/20 0.52
KDM4E B2RXH2 1/20 0.52
RAD52 P43351 3/20 0.44
PSMD14 O00487 1/20 0.44
HSP90AA1 P07900 1/20 0.44
MMP2 P08253 1/20 0.44
MC4R P32245 1/20 0.44
CHRM3 P20309 4/20 0.41
CHRM2 P08172 3/20 0.40
ADRA2A P08913 3/20 0.40
CHRM1 P11229 3/20 0.40
ADRA2B P18089 3/20 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
SCHEMBL1684242 0.98 DNM1 (0.71) DNM1MEN1KMT2ATP53SMN1; SMN2
SCHEMBL2389386 0.96 DNM1 (0.69) DNM1MEN1KMT2ATP53SMN1; SMN2
Hydrochloric Acid SCHEMBL5084982 0.96 MEN1 (0.72) DNM1MEN1KMT2ATP53SMN1; SMN2
Water SCHEMBL7548920 0.96 DNM1 (0.69) DNM1MEN1KMT2ATP53SMN1; SMN2
Iodide SCHEMBL5091509 0.96 DNM1 (0.69) DNM1MEN1KMT2ATP53SMN1; SMN2
Bromide SCHEMBL5088604 0.96 DNM1 (0.72) DNM1MEN1KMT2ATP53SMN1; SMN2
SCHEMBL2389391 0.96 DNM1 (0.69) DNM1MEN1KMT2ATP53SMN1; SMN2
SCHEMBL7546004 0.96 DNM1 (0.69) DNM1MEN1KMT2ATP53SMN1; SMN2
Hydrochloric Acid SCHEMBL1822009 0.94 MEN1 (0.70) DNM1MEN1KMT2ATP53SMN1; SMN2
SCHEMBL29703384 0.88 DNM1 (0.61) DNM1MEN1KMT2ATP53SMN1; SMN2

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-0667366-B1 Process for the production of aromatic polycarbonate TEIJIN LTD (JP) 2002-06-26 EP disclosed
US-5516878-A CATALYTIC ESTER INTERCHANGE USING AN ALKALI METAL SALT OF AN ATE-COMPLEX OF A METAL SELECTED FROM SILICON, GERMANIUM, TIN, OR LEAD TEIJIN LIMITED (JP) 1996-05-14 US disclosed
EP-0667366-A2 Process for the production of aromatic polycarbonate TEIJIN LIMITED (JP) 1995-08-16 EP disclosed