SCHEMBL28520504

SCHEMBL28520504

CCCCCCCCOc1ccc(-c2ncncn2)c(O)c1.Oc1ccc(-c2ccccc2O)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.49
ALDH2 P05091 1/20 0.47
PTPN11 Q06124 4/20 0.47
LTA4H P09960 2/20 0.44
PDK2 Q15119 2/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CNR2 P34972 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
RARB P10826 3/20 0.40

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
SCHEMBL3849529 0.90 PTPN11 (0.48) NR5A1PTPN11LTA4HPDK2MEN1
Biphenyl SCHEMBL27847771 0.88 PTPN11 (0.52) NR5A1PTPN11LTA4HPDK2MEN1
SCHEMBL3120916 0.87 NR5A1 (0.55) NR5A1PTPN11LTA4HMEN1NPC1
SCHEMBL21817071 0.87 NR5A1 (0.55) NR5A1PTPN11LTA4HMEN1NPC1
SCHEMBL6711621 0.87 NR5A1 (0.55) NR5A1PTPN11LTA4HMEN1NPC1
SCHEMBL31298880 0.87 NR5A1 (0.55) NR5A1PTPN11LTA4HMEN1NPC1
SCHEMBL29973596 0.87 NR5A1 (0.55) NR5A1PTPN11LTA4HMEN1NPC1
SCHEMBL31298797 0.87 NR5A1 (0.55) NR5A1PTPN11LTA4HMEN1NPC1
SCHEMBL29801834 0.87 NR5A1 (0.55) NR5A1PTPN11LTA4HMEN1NPC1
Biphenyl SCHEMBL27860729 0.84 MEN1 (0.47) PTPN11LTA4HMEN1NPC1ALDH1A1

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-112297564-A Lightning strike protection 波音公司 2021-02-02 CN disclosed