SCHEMBL26418162

SCHEMBL26418162

COc1nc(C=O)nc(OC)n1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.35
LMNA P02545 3/20 0.33
TDP1 Q9NUW8 2/20 0.32
HTT P42858 3/20 0.32
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
TSHR P16473 3/20 0.31
ATM Q13315 2/20 0.31
RECQL P46063 1/20 0.31
CYP2A6 P11509 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL33145 0.76 ALDH1A1 (0.43) ALDH1A1LMNATDP1HTTMAPT
SCHEMBL19147632 0.74 ALDH1A1 (0.35) ALDH1A1LMNATDP1HTTMAPT
SCHEMBL11544810 0.71 ALDH1A1 (0.48) ALDH1A1LMNATDP1MAPTTSHR
SCHEMBL29955053 0.70 APP (0.39) ALDH1A1LMNATDP1HTTMAPT
SCHEMBL1573175 0.70 LMNA (0.48) ALDH1A1LMNATDP1HTTMAPT
SCHEMBL6335694 0.70 ALDH1A1 (0.37) ALDH1A1LMNATDP1MAPT
SCHEMBL8461698 0.69 CCR1 (0.32)
SCHEMBL1531434 0.69 LMNA (0.36) ALDH1A1LMNATDP1HTTMAPT
SCHEMBL8351928 0.69 MAPT (0.40) ALDH1A1LMNAHTTMAPTNPSR1
SCHEMBL31192804 0.69 CYP1A2 (0.42) ALDH1A1LMNATDP1MAPTNPSR1

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
US-20230128992-A1 POLYBENZIMIDAZOLE, PRECURSOR POLYAMIDE THEREOF, AND METHOD FOR PRODUCING SAME DAIKIN INDUSTRIES, LTD. (JP) 2023-04-27 US disclosed