SCHEMBL29250726

SCHEMBL29250726

Nc1c2c(c3ccccc3c1N)C=CC(=O)C2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 2/20 0.44
▸ ALDH1A1 P00352 6/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ GAA P10253 1/20 0.36
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ HPGD P15428 3/20 0.35
▸ LMNA P02545 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ PKM P14618 3/20 0.35
▸ IDO1 P14902 2/20 0.35
▸ ALOX15 P16050 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ PTPN1 P18031 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ THRB P10828 2/20 0.35
▸ BCHE P06276 1/20 0.35
▸ PTPRC P08575 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ RECQL P46063 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
SCHEMBL30843875 1.00 CES1 (0.44) CES1ALDH1A1KDM4EGAAMEN1
SCHEMBL11793572 0.79 CES1 (0.50) CES1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL30288157 0.79 CES1 (0.50) CES1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL30870314 0.72 CES1 (0.43) CES1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL10941056 0.70 CES1 (0.50) CES1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL10906550 0.68 MEN1 (0.37) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL743050 0.65 ALDH1A1 (0.48) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL3289745 0.65 ALDH1A1 (0.48) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL30561267 0.65 ALDH1A1 (0.48) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL17699232 0.65 CES1 (0.51) CES1ALDH1A1MEN1KMT2AHPGD

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-114276334-B Carbazole alkylation aromatic heterocyclic derivative and preparation method thereof 内蒙古民族大学 2024-04-09 — — CN disclosed
Send feedback