SCHEMBL8088864

SCHEMBL8088864

[3H]C([3H])([3H])C(=O)ON1C(=O)c2ccc3ccccc3c2C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.39
MAPT P10636 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
WDR5 P61964 1/20 0.36
NSD2 O96028 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
NCEH1 Q6PIU2 5/20 0.33
LMNA P02545 2/20 0.33
SLC22A12 Q96S37 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL8087951 0.92 DNMT1 (0.39) DNMT1MAPTMEN1KMT2AALDH1A1
SCHEMBL8088820 0.92 DNMT1 (0.39) DNMT1MAPTMEN1KMT2AALDH1A1
SCHEMBL2959931 0.90 DNMT1 (0.41) DNMT1MAPTMEN1KMT2AALDH1A1
SCHEMBL8087959 0.86 DNMT1 (0.39) DNMT1MAPTMEN1KMT2AALDH1A1
SCHEMBL8088825 0.79 ALDH1A1 (0.44) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8088874 0.78 DNMT1 (0.39) DNMT1MAPTMEN1KMT2AALDH1A1
SCHEMBL8088806 0.78 DNMT1 (0.39) DNMT1MAPTMEN1KMT2AALDH1A1
SCHEMBL18485438 0.74 DNMT1 (0.45) DNMT1MAPTMEN1KMT2AALDH1A1
SCHEMBL65319 0.73 MAPT (0.47) DNMT1MAPTMEN1KMT2AALDH1A1
SCHEMBL18485424 0.73 DNMT1 (0.41) DNMT1MAPTMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6160128-A Tritioacetylating reagents and processes for preparation thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-12-12 US claimed
US-6160128-A Tritioacetylating reagents and processes for preparation thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-12-12 US disclosed