SCHEMBL25925900

SCHEMBL25925900

CC1(C)OB(c2ccc(-c3nc4c5ccccc5oc4c4c5ccccc5n(-c5ccccc5)c34)cc2)OC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 5/20 0.39
▸ LIPG Q9Y5X9 5/20 0.39
▸ CA12 O43570 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ LMNA P02545 3/20 0.32
▸ TSHR P16473 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ ALDH1A1 P00352 3/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ USP2 O75604 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ HTT P42858 2/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ TP53 P04637 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
SCHEMBL25927250 0.87 LPL (0.41) LPLLIPGCA12CA9LMNA
SCHEMBL25925877 0.82 CA9 (0.37) CA12CA9LMNATSHRSMN1; SMN2
SCHEMBL25924528 0.82 MAPT (0.43) CA12CA9LMNATSHRALDH1A1
SCHEMBL25929491 0.82 LPL (0.40) LPLLIPGLMNASMN1; SMN2ALDH1A1
SCHEMBL25932398 0.81 MAPT (0.42) LMNATSHRALDH1A1KDM4EMEN1
SCHEMBL25924531 0.81 CA12 (0.36) CA12CA9LMNATSHRSMN1; SMN2
SCHEMBL25924530 0.79 MAPT (0.40) LMNATSHRALDH1A1KDM4EMEN1
SCHEMBL24280824 0.79 LPL (0.48) LPLLIPGLMNATSHRALDH1A1
SCHEMBL25924611 0.78 ESR1 (0.41) CA12CA9LMNASMN1; SMN2ALDH1A1
SCHEMBL25924533 0.77 PIK3R1 (0.36) CA12CA9LMNATSHRSMN1; SMN2

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
WO-2023138254-A1 HETEROCYCLIC COMPOUND, AND ORGANIC ELECTROLUMINESCENT MATERIAL AND ELEMENT 上海八亿时空先进材料有限公司 2023-07-27 — — WO disclosed
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