SCHEMBL9681820

SCHEMBL9681820

COc1ccnc(C=NCCN=Cc2nccc(OC)c2OC)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
LMNA P02545 2/20 0.36
GFER P55789 1/20 0.36
BCHE P06276 1/20 0.34
KDM4E B2RXH2 5/20 0.34
ALDH1A1 P00352 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
CYP1A2 P05177 2/20 0.34
HSD17B10 Q99714 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TUBB4A P04350 2/20 0.33
TUBB P07437 2/20 0.33
TUBA3C P0DPH7 2/20 0.33
TUBA1B P68363 2/20 0.33
TUBA4A P68366 2/20 0.33

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
SCHEMBL9681809 1.00 CA12 (0.41) CA12MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL4111524 0.75 ALDH1A1 (0.37) MAPTRAB9ANPC1KDM4EALDH1A1
SCHEMBL30963127 0.75 ALDH1A1 (0.37) MAPTRAB9ANPC1KDM4EALDH1A1
SCHEMBL28696174 0.71 TUBB1 (0.37) MAPTSMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL25806076 0.71 TUBB1 (0.37) MAPTSMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL9682829 0.71 BCHE (0.41) MAPTSMN1; SMN2RAB9ANPC1BCHE
SCHEMBL7823013 0.68 KDM4E (0.51) CA12SMN1; SMN2KDM4EALDH1A1CYP1A2
SCHEMBL7823012 0.68 KDM4E (0.51) CA12SMN1; SMN2KDM4EALDH1A1CYP1A2
SCHEMBL3504054 0.66 ALDH1A1 (0.40) MAPTSMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL3979208 0.66 MAOA (0.50) CA12SMN1; SMN2ALDH1A1

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
WO-1992013841-A1 COMPLEXING AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1992-08-20 WO disclosed
EP-0498380-A1 Complexing agents BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1992-08-12 EP disclosed