SCHEMBL29134221

SCHEMBL29134221

CC(C)c1ccc(Nc2ncncn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 1/20 0.58
▸ SMN1; SMN2 Q16637 4/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ RAB9A P51151 6/20 0.43
▸ NPC1 O15118 5/20 0.43
▸ POLB P06746 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ STK17B O94768 1/20 0.42
▸ STK17A Q9UEE5 1/20 0.42
▸ MAPK1 P28482 1/20 0.40
▸ TP53 P04637 2/20 0.40
▸ CCNK O75909 1/20 0.39
▸ CDK4 P11802 1/20 0.39
▸ CCNC P24863 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ CDK8 P49336 1/20 0.39
▸ GSK3B P49841 1/20 0.39

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) SMN1; SMN2ALDH1A1RAB9ANPC1MEN1
SCHEMBL28563944 0.81 TDP1 (0.52) NFKB1ALDH1A1RAB9APOLBKMT2A
SCHEMBL7167324 0.80 NFKB1 (0.38) NFKB1SMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL10592821 0.78 RAD52 (0.54) SMN1; SMN2ALDH1A1RAB9APOLBHPGD
SCHEMBL3958499 0.76 NFKB1 (0.59) NFKB1SMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL29950147 0.76 NFKB1 (0.59) NFKB1SMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL6532650 0.74 AURKA (0.52) ALDH1A1POLBMEN1KMT2ACDK4
SCHEMBL29134257 0.74 ALDH1A1 (0.56) NFKB1ALDH1A1RAB9ANPC1HPGD
SCHEMBL8973767 0.73 NFKB1 (1.00) NFKB1SMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL2789615 0.73 RAB9A (0.64) NFKB1SMN1; SMN2ALDH1A1RAB9ANPC1

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-B Compound with anti-aging and discoloration-resistant effects and preparation method thereof 圣奥化学科技有限公司 2023-12-29 — — CN disclosed
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