SCHEMBL7993840

SCHEMBL7993840

CC(C)(C)Cc1nc2cc(CN)ccc2o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 1/20 0.50
MAPT P10636 8/20 0.47
GAA P10253 3/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 10/20 0.44
NPC1 O15118 9/20 0.44
RAB9A P51151 9/20 0.44
KDM4E B2RXH2 6/20 0.44
HSD17B10 Q99714 5/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TP53 P04637 7/20 0.43
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
ALDH1A1 P00352 6/20 0.43
HPGD P15428 4/20 0.43
NFKB1 P19838 1/20 0.43

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
SCHEMBL7973727 0.88 GRK6 (0.55) GRK6MAPTGAAPOLBSMN1; SMN2
SCHEMBL7972175 0.80 GAA (0.59) GRK6MAPTGAAPOLBSMN1; SMN2
SCHEMBL5733947 0.80 GAA (0.75) GRK6MAPTGAAPOLBKDM4E
SCHEMBL23176649 0.79 KDM4E (0.53) GRK6MAPTGAAPOLBSMN1; SMN2
SCHEMBL7997880 0.78 ESR1 (0.50) GRK6MAPTGAAPOLBSMN1; SMN2
SCHEMBL5734523 0.78 ACLY (0.44) GRK6MAPTGAAPOLBSMN1; SMN2
SCHEMBL5765356 0.77 SMN1; SMN2 (0.61) GRK6MAPTGAAPOLBSMN1; SMN2
SCHEMBL8253379 0.77 GAA (0.51) GRK6MAPTGAAPOLBSMN1; SMN2
SCHEMBL7973729 0.76 MAPT (0.46) GRK6MAPTGAAPOLBSMN1; SMN2
SCHEMBL7997955 0.75 ACLY (0.42) GRK6MAPTPOLBSMN1; 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
WO-2001055136-A1 BENZOXAZOLE DERIVATIVES AND THEIR USE AS PESTICIDES SYNGENTA LIMITED (GB) 2001-08-02 WO disclosed