SCHEMBL24547486

SCHEMBL24547486

O=C(CNP(=O)(OCC1CCC(n2ncc(=O)[nH]c2=O)O1)Oc1ccccc1)OCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
HIF1A Q16665 1/20 0.33
TYMS P04818 1/20 0.32
DUT P33316 1/20 0.32
PLAT P00750 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
BTN3A1 O00481 1/20 0.31
P2RY2 P41231 1/20 0.31
P2RY6 Q15077 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
SCHEMBL25721246 0.87 CYP3A4 (0.45) MEN1KMT2ACYP3A4CYP2C9DUT
SCHEMBL25723712 0.87 CYP3A4 (0.45) MEN1KMT2ACYP3A4CYP2C9DUT
SCHEMBL25727013 0.76 CYP3A4 (0.41) CYP3A4CYP2C9DUTP2RY2P2RY6
SCHEMBL25714956 0.76 CYP3A4 (0.45) CYP3A4CYP2C9DUTP2RY2P2RY6
SCHEMBL25724478 0.76 CYP3A4 (0.45) CYP3A4CYP2C9DUTP2RY2P2RY6
SCHEMBL25714223 0.74 DUT (0.49) MEN1KMT2ACYP3A4CYP2C9TYMS
SCHEMBL13875655 0.73 TK1 (0.41) TYMS
SCHEMBL24547497 0.70 CYP3A4 (0.50) MEN1KMT2AUSP2POLBCYP3A4
SCHEMBL29637585 0.70 CYP3A4 (0.50) MEN1KMT2AUSP2POLBCYP3A4
SCHEMBL24547483 0.70 CYP3A4 (0.50) MEN1KMT2AUSP2POLBCYP3A4

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
WO-2022133323-A1 6-AZA-NUCLEOSIDE PRODRUGS AS ANTIVIRAL AGENTS FOR TREATING VIRUS INFECTIONS SOUTHERN RESEARCH INSTITUTE (US) 2022-06-23 WO disclosed