SCHEMBL7479564

SCHEMBL7479564

COC(=O)C(CP(=O)(OC)OC)NC(=O)c1ccc2nc(C(C)c3nc4ccccc4[nH]3)n(C)c2c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
PIN1 Q13526 3/20 0.41
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TAS1R3 Q7RTX0 5/20 0.39
TAS1R1 Q7RTX1 5/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
FPR1 P21462 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
AURKA O14965 1/20 0.37

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
SCHEMBL7490792 0.93 L3MBTL1 (0.47) L3MBTL1PIN1ALDH1A1SMN1; SMN2TAS1R3
SCHEMBL7489855 0.85 PIN1 (0.46) L3MBTL1PIN1ALDH1A1KDM4ELMNA
Hydrochloric Acid SCHEMBL7478353 0.84 PIN1 (0.45) L3MBTL1PIN1ALDH1A1KDM4ELMNA
SCHEMBL7485173 0.81 PIN1 (0.46) L3MBTL1PIN1ALDH1A1KDM4ELMNA
SCHEMBL7485199 0.81 PIN1 (0.46) L3MBTL1PIN1ALDH1A1KDM4ELMNA
SCHEMBL7485673 0.80 L3MBTL1 (0.44) L3MBTL1PIN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL7490827 0.78 ACSS2 (0.42) L3MBTL1ALDH1A1KDM4ELMNATSHR
SCHEMBL7480434 0.78 AURKA (0.47) L3MBTL1ALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL7069754 0.76 NPC1 (0.49) L3MBTL1SMN1; SMN2LMNAKMT2A
SCHEMBL7073363 0.76 L3MBTL1 (0.50) L3MBTL1SMN1; SMN2KDM4ELMNATSHR

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-2000020400-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATING HEPATITIS C INFECTIONS AXYS PHARMACEUTICALS, INC. (US) 2000-04-13 WO disclosed