SCHEMBL9693301

SCHEMBL9693301

CC(C)N(C(C)C)N(C)P(O)O[C@H]1C[C@H](n2cnc3c(O)ncnc32)O[C@@H]1CNC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 2/20 0.38
ADORA1 P30542 3/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
BMPR1B O00238 1/20 0.31

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
SCHEMBL9693587 0.86 DOT1L (0.38) DOT1LADORA1ADORA3ADORA2A
SCHEMBL9663874 0.82 ADORA3 (0.44) DOT1LADORA1ADORA3ADORA2A
SCHEMBL9693232 0.81 DUT (0.38) DOT1L
SCHEMBL9782808 0.80 RNASE1 (0.45)
SCHEMBL10489350 0.77 PRKAG1 (0.33) ADORA1ADORA2A
SCHEMBL10489355 0.73 RNASE1 (0.47)
SCHEMBL9693591 0.72 DUT (0.36) DOT1L
SCHEMBL16245122 0.72 ADORA3 (0.38) ADORA1ADORA3ADORA2A
SCHEMBL19840344 0.71 ADORA3 (0.37) DOT1LADORA1ADORA3ADORA2A
SCHEMBL9782837 0.71 RNASE1 (0.41)

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