SCHEMBL28248142

SCHEMBL28248142

Cc1cccc(Oc2ccc(N)cc2N)c1Oc1ccc(N)cc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.42
ALDH1A1 P00352 4/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
CASP7 P55210 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
SLC6A4 P31645 5/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KEAP1 Q14145 1/20 0.39
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
SLC6A2 P23975 3/20 0.36
SLC6A3 Q01959 2/20 0.36

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
SCHEMBL27966664 0.88 MAPT (0.42) CASP1ALDH1A1GAAKDM4EMAPT
SCHEMBL27734367 0.84 CASP1 (0.47) CASP1ALDH1A1GAAKDM4EMAPT
SCHEMBL27746114 0.82 ALDH1A1 (0.44) CASP1ALDH1A1GAAKDM4EMAPT
SCHEMBL28284497 0.80 TSHR (0.41) GAAMAPTPOLBSLC6A4L3MBTL1
SCHEMBL10363801 0.79 CYP3A4 (0.45) CASP1ALDH1A1GAAKDM4EMAPT
SCHEMBL3038778 0.79 ALDH1A1 (0.45) CASP1ALDH1A1KDM4EMAPTMEN1
SCHEMBL27739232 0.78 CASP1 (0.44) CASP1ALDH1A1GAAKDM4EMAPT
Hydrochloric Acid SCHEMBL10363807 0.78 ALDH1A1 (0.45) CASP1ALDH1A1GAAKDM4EMAPT
SCHEMBL5707641 0.78 ALDH1A1 (0.46) CASP1ALDH1A1GAAKDM4EMAPT
SCHEMBL30462573 0.78 ALDH1A1 (0.52) CASP1ALDH1A1GAAKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110066407-A A kind of high flame-retardant resin film and preparation method thereof 东华大学 2019-07-30 CN claimed
CN-106751488-B A kind of preparation method of crystal waste slag/BDATHQ type epoxy matrix resin composite materials 东华大学 2019-01-15 CN claimed
CN-109705798-A A kind of BDATHQ type silicon-containing adhesive and preparation method thereof 东华大学 2019-05-03 CN disclosed
CN-106751488-B A kind of preparation method of crystal waste slag/BDATHQ type epoxy matrix resin composite materials 东华大学 2019-01-15 CN disclosed
CN-106243353-B A kind of siliceous epoxy acid imide matrix resin of BDATHQ types and preparation method thereof 东华大学 2018-09-25 CN disclosed