SCHEMBL29131667

SCHEMBL29131667

COc1ncc(-c2ccccc2)nc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 5/20 0.59
MAPT P10636 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
ALDH1A1 P00352 3/20 0.56
GAA P10253 3/20 0.56
GLA P06280 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
KMT2A Q03164 3/20 0.54
CASP1 P29466 1/20 0.50
RAB9A P51151 5/20 0.49
NPC1 O15118 4/20 0.49
MEN1 O00255 2/20 0.49
KDM4E B2RXH2 2/20 0.49
TSHR P16473 2/20 0.48
ATM Q13315 1/20 0.48
HSD17B10 Q99714 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47

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
SCHEMBL30505741 1.00 SQOR (0.59) SQORMAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL6056998 0.84 SQOR (0.51) SQORMAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL2581392 0.84 MAPT (0.51) SQORMAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL7542109 0.83 MAPT (0.44) SQORMAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL30129619 0.80 HSD17B1 (0.59) SQORHDAC6
SCHEMBL6056936 0.80 PDCD1 (0.48) SQORMAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL23905035 0.78 BRAF (0.45) SQORMAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL16622256 0.77 SQOR (0.51) SQORMAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL6057019 0.77 PDCD1 (0.48) SQORMAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL7545059 0.77 IKBKB (0.55) SQORMAPTSMN1; SMN2ALDH1A1GAA

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-116675650-B Lithium ion battery electrolyte additive, lithium ion battery electrolyte and lithium ion battery 蓝固(淄博)新能源科技有限公司 2023-10-31 CN disclosed
CN-116675650-A Lithium ion battery electrolyte additive, lithium ion battery electrolyte and lithium ion battery 蓝固(淄博)新能源科技有限公司 2023-09-01 CN disclosed