SCHEMBL9693232

SCHEMBL9693232

CC(C)N(C(C)C)N(C)P(O)O[C@H]1C[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1CNC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DUT P33316 4/20 0.38
DOT1L Q8TEK3 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 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
SCHEMBL9782808 0.89 RNASE1 (0.45)
SCHEMBL9693591 0.88 DUT (0.36) DUTDOT1LMEN1KMT2ACYP3A4
SCHEMBL10489355 0.82 RNASE1 (0.47)
SCHEMBL9693301 0.81 DOT1L (0.38) DOT1L
SCHEMBL9664349 0.81 DUT (0.57) DUT
SCHEMBL9782841 0.80 CYP3A4 (0.33) DOT1LCYP3A4CYP2C9
SCHEMBL9782837 0.78 RNASE1 (0.41)
SCHEMBL9782858 0.75 RNASE1 (0.42)
SCHEMBL13258673 0.74 RNASE1 (0.43) DUTDOT1LKMT2A
SCHEMBL9693305 0.74 RNASE1 (0.42)

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
US-5118800-A Oligonucleotides possessing a primary amino group in the terminal nucleotide CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1992-06-02 US disclosed
US-5015733-A Phosphoramidites and oligonucleotides derived therefrom CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1991-05-14 US disclosed
US-4849513-A Deoxyribonucleoside phosphoramidites in which an aliphatic amino group is attached to the sugar ring and their use for the preparation of oligonucleotides containing aliphatic amino groups CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1989-07-18 US disclosed