SCHEMBL30240785

SCHEMBL30240785

CC(CC(C)C)=NNC(=O)c1ccccc1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 9/20 0.68
▸ SMN1; SMN2 Q16637 5/20 0.68
▸ RAB9A P51151 4/20 0.56
▸ HPGD P15428 3/20 0.54
▸ RECQL P46063 1/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ NPC1 O15118 4/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ MAPT P10636 2/20 0.52
▸ LMNA P02545 2/20 0.52
▸ THRB P10828 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ CTDSP1 Q9GZU7 1/20 0.49

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
SCHEMBL5705557 1.00 GAA (0.68) GAASMN1; SMN2RAB9AHPGDRECQL
SCHEMBL1843219 1.00 GAA (0.68) GAASMN1; SMN2RAB9AHPGDRECQL
SCHEMBL1843216 1.00 GAA (0.68) GAASMN1; SMN2RAB9AHPGDRECQL
SCHEMBL21433610 0.90 GAA (0.55) GAASMN1; SMN2RAB9AHPGDRECQL
SCHEMBL21433611 0.90 GAA (0.55) GAASMN1; SMN2RAB9AHPGDRECQL
SCHEMBL1843932 0.87 GAA (0.62) GAASMN1; SMN2RAB9AHPGDRECQL
SCHEMBL23485552 0.85 KDM4E (0.50) GAASMN1; SMN2RAB9AHPGDRECQL
SCHEMBL22540076 0.85 KDM4E (0.50) GAASMN1; SMN2RAB9AHPGDRECQL
SCHEMBL5705600 0.84 RAB9A (0.54) GAASMN1; SMN2RAB9AHPGDRECQL
SCHEMBL5705602 0.84 RAB9A (0.54) GAASMN1; SMN2RAB9AHPGDRECQL

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-115702200-A Rubber composition and tire 株式会社普利司通 2023-02-14 — — CN disclosed
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