SCHEMBL29024801

SCHEMBL29024801

CC1=C(C)C(=O)NC1=O.Nc1ccc(N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.46
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.42
CYP19A1 P11511 3/20 0.39
TDP1 Q9NUW8 3/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
APEX1 P27695 1/20 0.37
DDB1 Q16531 2/20 0.36
CRBN Q96SW2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
TDP2 O95551 1/20 0.36
GSK3B P49841 1/20 0.36
RAB9A P51151 1/20 0.36
TEAD4 Q15561 1/20 0.36
EGFR P00533 1/20 0.35

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
SCHEMBL3791544 0.83 PTGS2 (0.46) ACHETDP1ALDH1A1TP53CYP3A4
SCHEMBL29024802 0.81 CASP1 (0.52) MEN1KMT2AMAPTTDP1LMNA
Benzene SCHEMBL29047514 0.77 GSK3B (0.43) MEN1KMT2AMAPTTDP1LMNA
SCHEMBL10830337 0.76 EGFR (0.33) MEN1KMT2AMAPTGSK3BEGFR
SCHEMBL10830328 0.76 EGFR (0.33) MEN1KMT2AMAPTGSK3BEGFR
SCHEMBL11375724 0.74 EGFR (0.32) MAPTGSK3BEGFR
Phthalimide SCHEMBL6407632 0.72 GSK3B (0.75) MEN1KMT2AMAPTTDP1LMNA
SCHEMBL11519039 0.67 PARP1 (0.44) POLBTDP2GSK3B
SCHEMBL9858506 0.67 GSK3A (0.65) ACHEMEN1KMT2AMAPTCYP19A1
SCHEMBL23585238 0.67 GSK3B (0.46) MEN1KMT2AMAPTTDP1LMNA

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-111533911-B Polyimide nano hybrid material and preparation method thereof 深圳大学 2023-05-23 CN claimed
CN-111533911-B Polyimide nano hybrid material and preparation method thereof 深圳大学 2023-05-23 CN disclosed