SCHEMBL29098616

SCHEMBL29098616

Cc1nc2c(C)cccc2cc1C(CCC#N)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.35
▸ RXFP1 Q9HBX9 4/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ ALDH1A1 P00352 5/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ GLA P06280 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ NR1H2 P55055 1/20 0.34
▸ NR1H3 Q13133 1/20 0.34
▸ PRNP P04156 1/20 0.34
▸ CASP1 P29466 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NCOA3 Q9Y6Q9 1/20 0.33
▸ CFTR P13569 1/20 0.33
▸ ATM Q13315 1/20 0.33

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
SCHEMBL29750607 1.00 MAPT (0.35) MAPTRXFP1KMT2AMEN1NPSR1
SCHEMBL29098613 0.90 USP9X (0.37) KMT2ANR1H2NR1H3
SCHEMBL29750591 0.90 USP9X (0.37) KMT2ANR1H2NR1H3
SCHEMBL24744948 0.86 MAPT (0.35) MAPTKMT2AMEN1NPSR1ALDH1A1
SCHEMBL29750507 0.86 MAPT (0.35) MAPTKMT2AMEN1NPSR1ALDH1A1
SCHEMBL24597664 0.85 ALDH1A1 (0.36) MAPTRXFP1KMT2AMEN1NPSR1
SCHEMBL29750567 0.85 NMT2 (0.38) MAPTRXFP1KMT2AMEN1NPSR1
SCHEMBL29098587 0.85 NMT2 (0.38) MAPTRXFP1KMT2AMEN1NPSR1
SCHEMBL29098594 0.84 PRNP (0.34) MAPTRXFP1KMT2AMEN1ALDH1A1
SCHEMBL29750508 0.84 PRNP (0.34) MAPTRXFP1KMT2AMEN1ALDH1A1

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-116917275-A Novel CEREBLON-binding compounds and methods of use thereof 凯普托尔治疗学股份有限公司 2023-10-20 — — CN disclosed
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