SCHEMBL29045784

SCHEMBL29045784

NC(=O)c1ccccc1COc1ccccc1OCCNC1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.60
▸ KDM4E B2RXH2 5/20 0.56
▸ KMT2A Q03164 5/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ SGMS2 Q8NHU3 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ PDE4A P27815 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ PDE4C Q08493 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ BACE1 P56817 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ TP53 P04637 1/20 0.43

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
SCHEMBL29045792 0.82 KDM4E (0.63) ALDH1A1KDM4EKMT2ASMN1; SMN2BACE1
SCHEMBL29045814 0.79 ALDH1A1 (0.56) ALDH1A1KDM4EKMT2AMEN1SGMS2
SCHEMBL29045848 0.79 ALDH1A1 (0.59) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL9938288 0.74 KDM4E (0.54) ALDH1A1KDM4EKMT2AMEN1TP53
SCHEMBL29985842 0.73 KDM4E (0.68) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL29045812 0.72 KDM4E (0.60) ALDH1A1KDM4EKMT2AMEN1SGMS2
SCHEMBL29985588 0.72 KDM4E (0.67) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
Carbamic Acid SCHEMBL5490106 0.70 KMT2A (0.57) ALDH1A1KDM4EKMT2AMEN1SGMS2
SCHEMBL2474305 0.70 ALDH1A1 (0.88) ALDH1A1KDM4EKMT2AMEN1PDE4A
SCHEMBL29045835 0.69 ALDH1A1 (0.55) ALDH1A1KDM4EKMT2AMEN1SGMS2

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-115304502-A FOXM1 inhibitor and preparation method and application thereof 中国医学科学院医药生物技术研究所 2022-11-08 — — CN disclosed
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