SCHEMBL28220083

SCHEMBL28220083

O=Cc1c(-c2ccc(O)cc2)n(-c2ccccc2)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
LMNA P02545 2/20 0.52
KMT2A Q03164 3/20 0.43
IL1R1 P14778 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
KDM4E B2RXH2 3/20 0.43
ATM Q13315 1/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.43
HTT P42858 2/20 0.43
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 2/20 0.39
THRB P10828 1/20 0.39
KLK7 P49862 1/20 0.39
GAA P10253 1/20 0.38
GFER P55789 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL6748554 0.90 ALDH1A1 (0.64) ALDH1A1LMNAKMT2AIL1R1L3MBTL1
SCHEMBL9509638 0.82 ALDH1A1 (0.52) ALDH1A1LMNAKMT2AL3MBTL1KDM4E
SCHEMBL2146435 0.78 MAPT (0.46) ALDH1A1LMNAKMT2AIL1R1L3MBTL1
SCHEMBL2146432 0.78 MAPT (0.46) ALDH1A1LMNAKMT2AIL1R1L3MBTL1
SCHEMBL9505790 0.77 ALDH1A1 (0.49) ALDH1A1LMNAKMT2AIL1R1L3MBTL1
SCHEMBL2146712 0.77 MAPT (0.41) ALDH1A1LMNAKMT2AL3MBTL1KDM4E
SCHEMBL5068723 0.77 GAA (0.46) ALDH1A1LMNAKMT2AL3MBTL1KDM4E
SCHEMBL28285318 0.76 IL1R1 (0.46) ALDH1A1LMNAKMT2AIL1R1L3MBTL1
SCHEMBL2146781 0.76 ALDH1A1 (0.37) ALDH1A1LMNAKMT2AMEN1ESR1
SCHEMBL2146798 0.74 ESR1 (0.42) ALDH1A1LMNAKMT2AL3MBTL1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108136718-A Multi-layer fiber composite material 科思创德国股份有限公司 2018-06-08 CN disclosed
CN-108136717-A multilayer fiber composite 科思创德国股份有限公司 2018-06-08 CN disclosed