SCHEMBL29329026

SCHEMBL29329026

CCc1cc(C)nc(C(=O)OCc2ccccc2)c1COC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
RAB9A P51151 3/20 0.45
STAT1 P42224 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
POLB P06746 1/20 0.45
ATM Q13315 1/20 0.45
ALDH1A1 P00352 4/20 0.44
GABRP O00591 2/20 0.44
GABRD O14764 2/20 0.44
GABRA1 P14867 2/20 0.44
GABRB1 P18505 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA5 P31644 2/20 0.44
GABRA3 P34903 2/20 0.44
GABRA2 P47869 2/20 0.44
GABRB2 P47870 2/20 0.44
GABRA4 P48169 2/20 0.44
GABRE P78334 2/20 0.44
GABRA6 Q16445 2/20 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
SCHEMBL29328988 0.77 RAB9A (0.42) MAPTRAB9ASTAT1NPSR1POLB
SCHEMBL29328986 0.75 MAPT (0.40) MAPTRAB9ASTAT1NPSR1POLB
SCHEMBL21950425 0.74 RAB9A (0.55) MAPTRAB9ASTAT1NPSR1POLB
SCHEMBL20348533 0.74 TDP1 (0.56) MAPTRAB9ASTAT1NPSR1POLB
SCHEMBL19884269 0.74 ALDH1A1 (0.43) MAPTRAB9ASTAT1NPSR1POLB
SCHEMBL25541336 0.73 TDP1 (0.51) MAPTRAB9ASTAT1NPSR1ALDH1A1
SCHEMBL29329021 0.73 KMT2A (0.50) MAPTRAB9ASTAT1NPSR1POLB
SCHEMBL29329014 0.73 RAB9A (0.45) MAPTRAB9ASTAT1NPSR1POLB
SCHEMBL25713483 0.73 TDP1 (0.64) MAPTRAB9AALDH1A1HPGDTDP1
SCHEMBL21572853 0.72 TDP1 (0.58) MAPTRAB9ASTAT1NPSR1POLB

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