SCHEMBL6894653

SCHEMBL6894653

CC(=O)/C=C/c1ccc(NC(C)=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.66
MEN1 O00255 5/20 0.66
KMT2A Q03164 5/20 0.66
RAB9A P51151 3/20 0.66
NPC1 O15118 2/20 0.66
MAPK1 P28482 1/20 0.66
TDP1 Q9NUW8 2/20 0.57
GLA P06280 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.55
LMNA P02545 3/20 0.55
TP53 P04637 2/20 0.55
HTT P42858 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ALDH1A1 P00352 2/20 0.53
CA12 O43570 1/20 0.53
BRD4 O60885 1/20 0.53
NR1I2 O75469 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
MB P02144 1/20 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
SCHEMBL6894661 1.00 MAPT (0.66) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL11970674 0.89 MAPT (0.66) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL29051547 0.89 MAPT (0.66) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL11970671 0.89 MAPT (0.66) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL7941711 0.88 SMN1; SMN2 (0.64) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL10944710 0.88 SMN1; SMN2 (0.64) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL7941715 0.88 SMN1; SMN2 (0.64) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL23866718 0.87 MAPT (0.64) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL1881515 0.87 MAPT (0.69) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL2134110 0.87 MAPT (0.69) MAPTMEN1KMT2ARAB9ANPC1

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
WO-2004018462-A1 QUINAZOLINONE DERIVATIVES CELLTECH R & D LIMITED (GB) 2004-03-04 WO disclosed