SCHEMBL25720876

SCHEMBL25720876

O=C(CN[P@](OCC1CCC(n2ccc(=O)[nH]c2=O)O1)Oc1ccccc1)OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DUT P33316 4/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
P2RY2 P41231 3/20 0.33
P2RY6 Q15077 2/20 0.33
P2RY4 P51582 1/20 0.33
NT5E P21589 1/20 0.33
P2RY14 Q15391 1/20 0.33
P2RY12 Q9H244 2/20 0.33
ABL1 P00519 1/20 0.33
RIN1 Q13671 1/20 0.33
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL25722152 1.00 DUT (0.38) DUTMEN1KMT2ACYP3A4CYP2C9
SCHEMBL25727731 1.00 DUT (0.38) DUTMEN1KMT2ACYP3A4CYP2C9
SCHEMBL25718625 0.87 CYP3A4 (0.41) DUTMEN1KMT2ACYP3A4CYP2C9
SCHEMBL25723712 0.80 CYP3A4 (0.45) DUTMEN1KMT2ACYP3A4CYP2C9
SCHEMBL25721246 0.80 CYP3A4 (0.45) DUTMEN1KMT2ACYP3A4CYP2C9
SCHEMBL25711302 0.79 MEN1 (0.41) DUTMEN1KMT2ACYP3A4CYP2C9
SCHEMBL25726180 0.79 CYP3A4 (0.47) DUTMEN1KMT2ACYP3A4CYP2C9
SCHEMBL25710493 0.79 CYP3A4 (0.47) DUTMEN1KMT2ACYP3A4CYP2C9
SCHEMBL25710332 0.79 CYP3A4 (0.47) DUTMEN1KMT2ACYP3A4CYP2C9
SCHEMBL25895698 0.79 DUT (0.45) DUTMEN1KMT2AP2RY2P2RY6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3131914-B1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS LLC (US) 2023-05-10 EP disclosed