SCHEMBL27921582

SCHEMBL27921582

NC(=O)c1cccc(OCc2cn3ccccc3n2)c1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.53
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ LMNA P02545 3/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ NPC1 O15118 4/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ HSD17B10 Q99714 1/20 0.47
▸ TSHR P16473 2/20 0.47
▸ MAPT P10636 2/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ TP53 P04637 1/20 0.46
▸ PDE10A Q9Y233 1/20 0.44
▸ HPGD P15428 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CLK1 P49759 1/20 0.42
▸ DYRK1A Q13627 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ PARP1 P09874 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
SCHEMBL203875 0.83 KDM4E (0.52) KDM4ESMN1; SMN2LMNAALDH1A1NPC1
SCHEMBL16212418 0.81 KDM4E (0.66) KDM4ESMN1; SMN2LMNAALDH1A1NPC1
SCHEMBL19222365 0.77 KDM4E (0.52) KDM4ESMN1; SMN2LMNAALDH1A1NPC1
SCHEMBL23488102 0.75 KDM4E (0.80) KDM4ESMN1; SMN2LMNAALDH1A1NPC1
SCHEMBL14777184 0.74 NPC1 (0.54) KDM4ESMN1; SMN2LMNAALDH1A1NPC1
SCHEMBL24933006 0.70 KDM4E (0.51) KDM4ESMN1; SMN2LMNAALDH1A1NPC1
SCHEMBL20219598 0.70 NPC1 (0.52) KDM4ESMN1; SMN2LMNAALDH1A1NPC1
SCHEMBL17694678 0.70 KDM4E (0.78) KDM4ESMN1; SMN2LMNAALDH1A1NPC1
SCHEMBL14352777 0.70 KDM4E (0.57) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL23488101 0.69 KDM4E (1.00) KDM4ESMN1; SMN2LMNAALDH1A1NPC1

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-102008459-B Antibacterial agents BIOTA SCIENT MAN 2013-05-29 — — CN claimed
CN-102008459-B Antibacterial agents BIOTA SCIENT MAN 2013-05-29 — — CN disclosed
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