SCHEMBL27668372

SCHEMBL27668372

NC(=O)c1c(OCc2ccccc2)ccnc1NCCc1ccncc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ GRIN2B Q13224 1/20 0.48
▸ KDM4E B2RXH2 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ABCB1 P08183 1/20 0.46
▸ PPIA P62937 4/20 0.43
▸ MAPT P10636 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ HIF1A Q16665 1/20 0.42
▸ RAB9A P51151 2/20 0.41
▸ ZAP70 P43403 1/20 0.41
▸ KARS1 Q15046 1/20 0.41

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
SCHEMBL27647891 0.89 F2 (0.46) F2SMN1; SMN2ALDH1A1ABCB1PPIA
SCHEMBL27647928 0.76 AURKA (0.50) KDM4ESMN1; SMN2ALDH1A1HPGDPPIA
SCHEMBL27668348 0.76 AURKA (0.48) KDM4EPPIAMAPTMEN1KMT2A
SCHEMBL15529333 0.75 KDM4E (0.49) KDM4ESMN1; SMN2ALDH1A1HPGDMAPT
SCHEMBL27647949 0.74 PPIA (0.46) SMN1; SMN2ALDH1A1PPIAKMT2ARAB9A
SCHEMBL1715666 0.73 MAPT (0.63) F2KCNH2GRIN2BKDM4EALDH1A1
SCHEMBL15529130 0.72 KDM4E (0.48) F2KDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL27865830 0.71 PPIA (0.44) KDM4EALDH1A1PPIAMAPTHTT
SCHEMBL3716881 0.71 MAPT (0.70) KDM4ESMN1; SMN2ALDH1A1HPGDMAPT
SCHEMBL5743109 0.70 FOLH1 (0.57) MAPTHTTTDP1

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-1906155-A Novel hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA AS (DK) 2007-01-31 — — CN claimed
CN-1906155-A Novel hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA AS (DK) 2007-01-31 — — CN disclosed
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