SCHEMBL29974587

SCHEMBL29974587

COC(=O)c1nc2cc(N)ccc2o1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.64
MAPT P10636 7/20 0.64
SMN1; SMN2 Q16637 7/20 0.64
TP53 P04637 4/20 0.64
NPC1 O15118 8/20 0.46
GFER P55789 2/20 0.46
RXFP1 Q9HBX9 2/20 0.46
IL6 P05231 1/20 0.46
STAT3 P40763 1/20 0.46
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 5/20 0.46
HSD17B10 Q99714 3/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL210184 1.00 RAB9A (0.64) RAB9AMAPTSMN1; SMN2TP53NPC1
SCHEMBL29259228 0.84 RAB9A (0.50) RAB9AMAPTSMN1; SMN2TP53NPC1
SCHEMBL30601063 0.84 RAB9A (0.50) RAB9AMAPTSMN1; SMN2TP53NPC1
SCHEMBL18114422 0.83 AGPAT2 (0.50) RAB9AMAPTSMN1; SMN2TP53NPC1
SCHEMBL26654543 0.82 RAB9A (0.50) RAB9AMAPTSMN1; SMN2TP53NPC1
SCHEMBL10829024 0.82 MAPT (0.56) RAB9AMAPTSMN1; SMN2TP53NPC1
SCHEMBL21612949 0.82 XDH (0.47) RAB9AMAPTSMN1; SMN2TP53NPC1
SCHEMBL4392862 0.81 RAB9A (0.51) RAB9AMAPTSMN1; SMN2TP53NPC1
SCHEMBL29958065 0.81 MAPT (0.43) RAB9AMAPTSMN1; SMN2TP53NPC1
SCHEMBL17161464 0.78 AGPAT2 (0.52) RAB9AMAPTSMN1; SMN2TP53

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
CN-115397467-A Therapeutic agent for tauopathy 住友制药株式会社 2022-11-25 CN disclosed