SCHEMBL29985842

SCHEMBL29985842

Oc1ccccc1OCCNC1CCCC1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.68
▸ ALDH1A1 P00352 6/20 0.68
▸ JAK2 O60674 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ DRD2 P14416 1/20 0.51
▸ DRD4 P21917 1/20 0.51
▸ DRD3 P35462 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ HTR1A P08908 2/20 0.51
▸ KMT2A Q03164 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL29985588 0.98 KDM4E (0.67) KDM4EALDH1A1JAK2LMNAGAA
SCHEMBL29045792 0.86 KDM4E (0.63) KDM4EALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL29045812 0.78 KDM4E (0.60) KDM4EALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL12204779 0.76 ALDH1A1 (0.61) KDM4EALDH1A1DRD2DRD4DRD3
SCHEMBL12204698 0.76 ALDH1A1 (0.65) KDM4EALDH1A1DRD2DRD4HTR1A
SCHEMBL2352175 0.76 KDM4E (0.69) KDM4EALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL22627319 0.75 GAA (0.53) KDM4EALDH1A1JAK2LMNAGAA
SCHEMBL2474305 0.74 ALDH1A1 (0.88) KDM4EALDH1A1LMNAGAAHTR1A
SCHEMBL2469303 0.74 ALDH1A1 (0.63) KDM4EALDH1A1DRD2DRD4DRD3
SCHEMBL3861777 0.74 ALDH1A1 (0.59) KDM4EALDH1A1LMNAMAPTDRD2

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-115304502-B FOXM1 inhibitor and preparation method and application thereof 中国医学科学院医药生物技术研究所 2024-10-18 — — CN disclosed
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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