SCHEMBL30467005

SCHEMBL30467005

CNCC(=O)c1ccc[nH]1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
RAB9A P51151 6/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
NPC1 O15118 3/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HSD17B10 Q99714 1/20 0.47
THRB P10828 1/20 0.46
GAA P10253 1/20 0.46
KDM4E B2RXH2 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 3/20 0.44
MAPT P10636 1/20 0.44
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL5162800 0.79 TSHR (0.53) TSHRRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL9664550 0.78 TSHR (0.56) TSHRRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL261326 0.78
SCHEMBL14436880 0.77 TSHR (0.84) TSHRRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL13041458 0.76 TSHR (0.53) TSHRRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL5160589 0.76 TSHR (0.53) TSHRRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL6536779 0.75
SCHEMBL18205594 0.75
SCHEMBL3170534 0.74 TSHR (0.67) TSHRRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL5158635 0.74 TSHR (0.56) TSHRRAB9ASMN1; SMN2NPC1MEN1

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-111511730-B Amide substituted indole compounds useful as TLR inhibitors 百时美施贵宝公司 2023-07-25 CN disclosed