SCHEMBL8232030

SCHEMBL8232030

O=C(O)c1cc(-c2ccc(/C=N/Nc3nc(Nc4ccc(F)cc4)nc(N4CCCCC4)n3)o2)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 14/20 0.56
▸ ALDH1A1 P00352 10/20 0.56
▸ NPSR1 Q6W5P4 7/20 0.56
▸ HTT P42858 4/20 0.56
▸ TDP1 Q9NUW8 3/20 0.56
▸ LMNA P02545 2/20 0.56
▸ MEN1 O00255 9/20 0.52
▸ KMT2A Q03164 9/20 0.52
▸ CRHBP P24387 2/20 0.52
▸ CRHR2 Q13324 2/20 0.52
▸ SMN1; SMN2 Q16637 5/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ GAA P10253 3/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ RECQL P46063 2/20 0.51
▸ KDM4E B2RXH2 5/20 0.48
▸ MAPK1 P28482 3/20 0.48
▸ POLB P06746 4/20 0.46
▸ HPGD P15428 1/20 0.44

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
SCHEMBL8239298 0.85 KMT2A (0.60) MAPTALDH1A1NPSR1HTTTDP1
SCHEMBL8241062 0.85 MAPT (0.56) MAPTALDH1A1NPSR1HTTTDP1
SCHEMBL11913677 0.76 MAPT (0.65) MAPTALDH1A1NPSR1HTTTDP1
SCHEMBL11918184 0.76 MAPT (0.65) MAPTALDH1A1NPSR1HTTTDP1
SCHEMBL8264937 0.76 BIRC5 (0.53) MAPTALDH1A1NPSR1TDP1MEN1
SCHEMBL6721154 0.76 CTSL (0.58) MAPTALDH1A1NPSR1TDP1MEN1
SCHEMBL27776235 0.74 MAPT (0.63) MAPTALDH1A1NPSR1HTTTDP1
SCHEMBL12417184 0.73 DDX3X (0.56) MAPTALDH1A1NPSR1HTTTDP1
SCHEMBL3813156 0.72 MAPT (0.66) MAPTALDH1A1NPSR1HTTTDP1
SCHEMBL12417187 0.71 MAPT (0.65) MAPTALDH1A1NPSR1HTTTDP1

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
EP-1790345-A1 Triazin beta-secretase inhibitors Esbatech AG (CH) 2007-05-30 — — EP disclosed
WO-2007051333-A1 TRIAZINE BETA-SECRETASE INHIBITORS ONCALIS AG (CH) 2007-05-10 — — WO disclosed
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