SCHEMBL8232019

SCHEMBL8232019

Cc1ccc(Cl)cc1-c1ccc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)o1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.65
▸ MAPT P10636 11/20 0.61
▸ ALDH1A1 P00352 9/20 0.61
▸ MEN1 O00255 6/20 0.61
▸ KDM4E B2RXH2 5/20 0.61
▸ L3MBTL1 Q9Y468 3/20 0.61
▸ SMN1; SMN2 Q16637 3/20 0.61
▸ LMNA P02545 2/20 0.61
▸ HPGD P15428 2/20 0.61
▸ NPSR1 Q6W5P4 2/20 0.61
▸ ALOX12 P18054 1/20 0.61
▸ PPARG P37231 1/20 0.61
▸ NCOA2 Q15596 1/20 0.61
▸ NCOA1 Q15788 1/20 0.61
▸ HTT P42858 4/20 0.59
▸ S1PR2 O95136 1/20 0.59
▸ BLM P54132 1/20 0.54
▸ POLB P06746 3/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53

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
SCHEMBL12417212 0.90 MAPT (0.63) KMT2AMAPTALDH1A1MEN1KDM4E
SCHEMBL12417165 0.82 MAPT (0.66) KMT2AMAPTALDH1A1MEN1KDM4E
SCHEMBL12417160 0.79 MAPT (0.60) KMT2AMAPTALDH1A1MEN1KDM4E
SCHEMBL11913670 0.75 MAPT (0.58) KMT2AMAPTALDH1A1MEN1KDM4E
SCHEMBL12443073 0.75 KMT2A (0.74) KMT2AMAPTALDH1A1MEN1KDM4E
SCHEMBL12417208 0.74 MAPT (0.59) KMT2AMAPTALDH1A1MEN1KDM4E
SCHEMBL8239208 0.74 HTT (0.71) KMT2AMAPTALDH1A1MEN1KDM4E
SCHEMBL12417173 0.73 MAPT (0.56) KMT2AMAPTALDH1A1MEN1KDM4E
SCHEMBL11918204 0.73 MAPT (0.51) KMT2AMAPTALDH1A1MEN1KDM4E
SCHEMBL6721129 0.72 MAPT (0.65) KMT2AMAPTALDH1A1MEN1KDM4E

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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