SCHEMBL28055811

SCHEMBL28055811

NCc1cccc(-c2cc(O)ccc2O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.58
BACE1 P56817 1/20 0.46
CHEK1 O14757 1/20 0.46
WEE1 P30291 1/20 0.46
ABAT P80404 1/20 0.45
FGFR1 P11362 1/20 0.45
FGFR2 P21802 1/20 0.45
FGFR3 P22607 1/20 0.45
PELI1 Q96FA3 1/20 0.43
DRD2 P14416 1/20 0.42
DRD1 P21728 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ALOX5 P09917 1/20 0.40
PNMT P11086 1/20 0.40
LOXL2 Q9Y4K0 2/20 0.40
CFD P00746 3/20 0.39
MMP3 P08254 1/20 0.39
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39
F11 P03951 1/20 0.39

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
SCHEMBL6572315 0.85 BACE1 (0.49) ENPP2BACE1CHEK1WEE1FGFR1
SCHEMBL28060034 0.84 ABAT (0.56) ENPP2BACE1ABATPELI1DRD2
Hydrochloric Acid SCHEMBL6780409 0.83 BACE1 (0.47) ENPP2BACE1CHEK1WEE1FGFR1
SCHEMBL11509337 0.83 THRA (0.49) BACE1FGFR1PELI1ALOX5MMP3
SCHEMBL2450409 0.82 ALDH1A1 (0.52) ENPP2BACE1FGFR1FGFR2FGFR3
SCHEMBL13867738 0.81 PELI1 (0.53) BACE1PELI1ALOX5ESR2NPC1
SCHEMBL2948809 0.80 ENPP2 (0.76) ENPP2ABATFGFR1FGFR2FGFR3
SCHEMBL28241992 0.79 ENPP2 (0.48) ENPP2BACE1FGFR1FGFR2FGFR3
SCHEMBL28241991 0.79 ENPP2 (0.53) ENPP2CHEK1WEE1ABATFGFR1
SCHEMBL17754365 0.79 PELI1 (0.61) BACE1PELI1ALOX5ESR2

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-103435804-B Containing polybenzimidazole and preparation method thereof and the application of side base and ehter bond JILIN UNIVERSITY (CN) 2016-02-17 CN disclosed