SCHEMBL29328986

SCHEMBL29328986

CCc1nc(C(C)C)nc(C(=O)OCc2ccccc2)c1COC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
RAB9A P51151 3/20 0.40
ATM Q13315 2/20 0.40
STAT1 P42224 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 1/20 0.40
GABRP O00591 2/20 0.39
GABRD O14764 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRB1 P18505 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
GABRA2 P47869 2/20 0.39
GABRB2 P47870 2/20 0.39

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
SCHEMBL29328988 0.84 RAB9A (0.42) MAPTRAB9AATMSTAT1NPSR1
SCHEMBL29329026 0.75 MAPT (0.45) MAPTRAB9AATMSTAT1NPSR1
SCHEMBL29329027 0.74 POLB (0.46) MAPTRAB9AATMSTAT1NPSR1
SCHEMBL19884269 0.71 ALDH1A1 (0.43) MAPTRAB9AATMSTAT1NPSR1
SCHEMBL21950425 0.69 RAB9A (0.55) MAPTRAB9AATMSTAT1NPSR1
SCHEMBL29329029 0.69 L3MBTL1 (0.52) MAPTRAB9AATMSTAT1NPSR1
SCHEMBL29329031 0.69 POLB (0.46) MAPTRAB9AATMSTAT1NPSR1
SCHEMBL24704431 0.69 TDP1 (0.49) MAPTRAB9AATMSTAT1NPSR1
SCHEMBL523555 0.68 ALDH1A1 (0.46) MAPTRAB9APOLBTDP1SLC6A2
SCHEMBL25541336 0.68 TDP1 (0.51) MAPTRAB9ASTAT1NPSR1TDP1

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
US-12043833-B2 Targeted compositions ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-23 US disclosed