SCHEMBL29045237

SCHEMBL29045237

COC(=O)C(CC(=O)CP(=O)(OC)OC)NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
LMNA P02545 3/20 0.38
POLB P06746 2/20 0.38
KYNU Q16719 1/20 0.37
MDM4 O15151 1/20 0.37
MDM2 Q00987 1/20 0.37
ALDH1A1 P00352 2/20 0.37
GLA P06280 1/20 0.37
LDHA P00338 1/20 0.36
LDHB P07195 1/20 0.36
MEN1 O00255 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
CYP26A1 O43174 1/20 0.35
KCNN4 O15554 1/20 0.35
ATM Q13315 1/20 0.34
SIRT2 Q8IXJ6 3/20 0.34

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
SCHEMBL8968916 1.00 KMT2A (0.40) KMT2ALMNAPOLBKYNUMDM4
SCHEMBL24346571 1.00 KMT2A (0.40) KMT2ALMNAPOLBKYNUMDM4
SCHEMBL8968802 0.91 POLB (0.38) KMT2ALMNAPOLBLDHALDHB
SCHEMBL25435209 0.91 POLB (0.38) KMT2ALMNAPOLBLDHALDHB
SCHEMBL8968840 0.89 KMT2A (0.40) KMT2ALMNAPOLBKYNUMDM4
SCHEMBL8968828 0.89 KMT2A (0.40) KMT2ALMNAPOLBKYNUMDM4
SCHEMBL5799829 0.80 KMT2A (0.43) KMT2ALMNAPOLBMDM4MDM2
SCHEMBL29045223 0.80 KMT2A (0.43) KMT2ALMNAPOLBMDM4MDM2
SCHEMBL346218 0.77 ALDH1A1 (0.47) KMT2ALMNAPOLBMDM4MDM2
SCHEMBL993439 0.77 ALDH1A1 (0.47) KMT2ALMNAPOLBMDM4MDM2

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
CN-116547287-A Inhibitors of APOL1 and methods of use thereof 弗特克斯药品有限公司 2023-08-04 CN disclosed