SCHEMBL6593008

SCHEMBL6593008

C=CCCn1c(C(=O)/C=C/N(C)C)cnc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.36
ALDH1A1 P00352 8/20 0.36
RAB9A P51151 7/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
NPC1 O15118 5/20 0.36
HTT P42858 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
KMT2A Q03164 4/20 0.35
POLB P06746 3/20 0.35
LMNA P02545 3/20 0.35
MEN1 O00255 2/20 0.35
RECQL P46063 2/20 0.34
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
PDE4A P27815 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 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
SCHEMBL6593013 1.00 MAPT (0.36) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL3554226 0.82 HTT (0.40) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL3554224 0.82 HTT (0.40) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL6593940 0.82 MAPT (0.37) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL6593945 0.82 MAPT (0.37) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL6106911 0.79 MAPK1 (0.38) ALDH1A1SMN1; SMN2POLBLMNAGAA
SCHEMBL6590360 0.78 ALDH1A1 (0.37) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL6590358 0.78 ALDH1A1 (0.37) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL5098850 0.78 HTT (0.42) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL5098848 0.78 HTT (0.42) MAPTALDH1A1RAB9ASMN1; SMN2NPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1351958-B1 IMIDAZOLO-5-YL-2-ANILINO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF THE CELL PROLIFERATION ASTRAZENECA AB (SE) 2004-06-16 EP disclosed