SCHEMBL28988937

SCHEMBL28988937

Cc1cc(CC(C)(C)C(=O)O)n(-c2nc(C)c(C)nc2C)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34
▸ LMNA P02545 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ CYP2C9 P11712 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ NTRK1 P04629 1/20 0.31
▸ SLC2A1 P11166 1/20 0.31
▸ TSHR P16473 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
SCHEMBL31681888 1.00 POLB (0.42) POLBKDM4EL3MBTL1FFAR4LMNA
SCHEMBL28988940 0.80 LMNA (0.38) POLBKDM4EL3MBTL1LMNASMN1; SMN2
SCHEMBL31681889 0.80 LMNA (0.38) POLBKDM4EL3MBTL1LMNASMN1; SMN2
SCHEMBL28989269 0.68 KDM4E (0.40) POLBKDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL31681893 0.68 KDM4E (0.40) POLBKDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL30396306 0.64 KMT2A (0.52) POLBL3MBTL1LMNASMN1; SMN2ALDH1A1
SCHEMBL28989735 0.63 ALDH1A1 (0.43) KDM4EL3MBTL1ALDH1A1KMT2AMAPT
SCHEMBL21762358 0.63 POLB (0.38) POLBKDM4EL3MBTL1ALDH1A1CYP2C9
SCHEMBL30912711 0.62 ALDH1A1 (0.39) KDM4EL3MBTL1SMN1; SMN2ALDH1A1GAA
SCHEMBL29271137 0.62 ALDH1A1 (0.39) KDM4EL3MBTL1SMN1; 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-115991698-B Heterocyclic compound and preparation method and application thereof 广东中科药物研究有限公司 2024-03-29 — — CN disclosed
CN-115991698-A Heterocyclic compound and preparation method and application thereof 广东中科药物研究有限公司 2023-04-21 — — CN disclosed
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