SCHEMBL8239298

SCHEMBL8239298

O=C(O)c1cc(-c2ccc(/C=N/Nc3nc(Nc4ccc(F)cc4)nc(N4CCOCC4)n3)o2)ccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 11/20 0.60
▸ MEN1 O00255 10/20 0.60
▸ NPC1 O15118 4/20 0.60
▸ RAB9A P51151 4/20 0.60
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ TSHR P16473 1/20 0.56
▸ MAPT P10636 13/20 0.55
▸ ALDH1A1 P00352 9/20 0.55
▸ KDM4E B2RXH2 8/20 0.55
▸ GAA P10253 5/20 0.55
▸ NPSR1 Q6W5P4 4/20 0.55
▸ HPGD P15428 3/20 0.55
▸ ALOX12 P18054 1/20 0.55
▸ TLR9 Q9NR96 1/20 0.49
▸ LMNA P02545 4/20 0.48
▸ L3MBTL1 Q9Y468 4/20 0.48
▸ POLB P06746 4/20 0.48
▸ HTT P42858 3/20 0.48
▸ S1PR2 O95136 1/20 0.48
▸ PKM P14618 2/20 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
SCHEMBL8241062 0.86 MAPT (0.56) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL8232030 0.85 MAPT (0.56) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL11918204 0.83 MAPT (0.51) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL27776235 0.81 MAPT (0.63) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL4410841 0.80 KDM4E (0.69) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL11913699 0.80 MAPT (0.55) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL11913670 0.76 MAPT (0.58) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL6433034 0.76 MEN1 (0.66) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL6433043 0.76 MEN1 (0.66) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL6721129 0.75 MAPT (0.65) KMT2AMEN1NPC1RAB9ASMN1; SMN2

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
Send feedback