SCHEMBL8088874

SCHEMBL8088874

O=C(CBr)ON1C(=O)c2ccc3ccccc3c2C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.39
PTPN1 P18031 1/20 0.38
WDR5 P61964 1/20 0.36
ALDH1A1 P00352 5/20 0.35
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RAB9A P51151 1/20 0.35
NSD2 O96028 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
HPGD P15428 3/20 0.33
CYP1A2 P05177 2/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL8088806 0.86 DNMT1 (0.39) DNMT1WDR5ALDH1A1MEN1KMT2A
SCHEMBL2959931 0.82 DNMT1 (0.41) DNMT1WDR5ALDH1A1MEN1KMT2A
SCHEMBL2295780 0.79 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AMAPTCYP1A2
SCHEMBL8087951 0.78 DNMT1 (0.39) DNMT1WDR5ALDH1A1MEN1KMT2A
SCHEMBL8088820 0.78 DNMT1 (0.39) DNMT1WDR5ALDH1A1MEN1KMT2A
SCHEMBL8088864 0.78 DNMT1 (0.39) DNMT1WDR5ALDH1A1MEN1KMT2A
SCHEMBL8087959 0.78 DNMT1 (0.39) DNMT1WDR5ALDH1A1MEN1KMT2A
SCHEMBL9327695 0.72 DNMT1 (0.46) DNMT1WDR5ALDH1A1MEN1KMT2A
SCHEMBL18485415 0.71 KDM4E (0.45) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL1757427 0.71 CASP3 (0.44) DNMT1ALDH1A1MEN1KMT2AMAPT

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