SCHEMBL24597664

SCHEMBL24597664

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.36
▸ KDM4E B2RXH2 5/20 0.36
▸ CASP1 P29466 3/20 0.36
▸ CASP7 P55210 3/20 0.36
▸ HSD17B10 Q99714 3/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ ATM Q13315 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MAPT P10636 5/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ RXFP1 Q9HBX9 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ NCOA3 Q9Y6Q9 1/20 0.35
▸ GLA P06280 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ CFTR P13569 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
SCHEMBL24597726 0.90 USP9X (0.37) ALDH1A1HSD17B10L3MBTL1MAPTKMT2A
SCHEMBL29098616 0.85 MAPT (0.35) ALDH1A1KDM4ECASP1CASP7HSD17B10
SCHEMBL29750607 0.85 MAPT (0.35) ALDH1A1KDM4ECASP1CASP7HSD17B10
SCHEMBL24597659 0.85 NMT2 (0.38) ALDH1A1KDM4EHSD17B10L3MBTL1HPGD
SCHEMBL24597661 0.84 ALDH1A1 (0.35) ALDH1A1KDM4ECASP1CASP7HSD17B10
SCHEMBL24597640 0.79 ALDH1A1 (0.33) ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL24596018 0.79 NMT2 (0.37) ALDH1A1KDM4EHSD17B10L3MBTL1HPGD
SCHEMBL24597652 0.78 LMNA (0.36) ALDH1A1KDM4ECASP1HSD17B10ATM
SCHEMBL24597616 0.78 ALDH1A1 (0.36) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL24597749 0.78 KDM4E (0.41) ALDH1A1KDM4ECASP1CASP7HSD17B10

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
WO-2022144416-A1 NOVEL COMPOUNDS WHICH BIND TO CEREBLON, AND METHODS OF USE THEREOF CAPTOR THERAPEUTICS S.A. (PL) 2022-07-07 — — WO disclosed
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