SCHEMBL28563944

SCHEMBL28563944

CC(C)Nc1ccc(Nc2ncncn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.52
▸ RECQL P46063 2/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ THRB P10828 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ ALOX12 P18054 1/20 0.52
▸ ATM Q13315 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ KCNH3 Q9ULD8 9/20 0.46
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ NTSR1 P30989 1/20 0.40

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
SCHEMBL10382992 0.83 RAB9A (0.44) TDP1L3MBTL1ALDH1A1LMNAALOX15
SCHEMBL29134221 0.81 NFKB1 (0.58) TDP1L3MBTL1ALDH1A1POLBGAA
SCHEMBL28569241 0.80 ALDH1A1 (0.41) TDP1RECQLL3MBTL1ALDH1A1LMNA
SCHEMBL3423880 0.77 GAA (0.41) TDP1ALDH1A1LMNAKCNH3GAA
SCHEMBL9934007 0.76 TDP1 (0.81) TDP1RECQLL3MBTL1ALDH1A1LMNA
SCHEMBL10592821 0.74 RAD52 (0.54) L3MBTL1ALDH1A1CYP3A4ALOX15ALOX12
SCHEMBL29134257 0.74 ALDH1A1 (0.56) TDP1RECQLL3MBTL1ALDH1A1LMNA
SCHEMBL6532650 0.74 AURKA (0.52) RECQLALDH1A1LMNAPOLBGAA
SCHEMBL39430 0.73 TDP1 (0.72) TDP1RECQLL3MBTL1ALDH1A1LMNA
SCHEMBL7167324 0.73 NFKB1 (0.38) TDP1L3MBTL1ALDH1A1KCNH3MAPT

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
CN-112759557-A Compound with anti-aging and anti-discoloration effects and preparation method thereof 圣奥化学科技有限公司 2021-05-07 — — CN disclosed
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