SCHEMBL24975655

SCHEMBL24975655

CC(=O)c1ccc2nc(C)cc(-c3ccc(C(=O)OC(C)(C)C)cc3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.43
MAPT P10636 3/20 0.42
NPC1 O15118 3/20 0.42
GUSB P08236 1/20 0.42
KDM4E B2RXH2 5/20 0.41
KMT2A Q03164 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
GAA P10253 2/20 0.41
MITF O75030 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ALDH1A1 P00352 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HTR5A P47898 1/20 0.39
MAPK1 P28482 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
SCHEMBL24975485 0.89 ABCG2 (0.47) ABCG2MAPTNPC1GUSBKDM4E
SCHEMBL31428518 0.89 ABCG2 (0.47) ABCG2MAPTNPC1GUSBKDM4E
SCHEMBL24975658 0.89 NPC1 (0.44) LMNAHTTABCG2MAPTNPC1
SCHEMBL24975465 0.84 ABCG2 (0.43) ABCG2MAPTNPC1GUSBKDM4E
SCHEMBL31428407 0.84 ABCG2 (0.43) ABCG2MAPTNPC1GUSBKDM4E
SCHEMBL31428875 0.83 ABCG2 (0.49) LMNAHTTABCG2MAPTNPC1
SCHEMBL31428903 0.82 ABCG2 (0.46) ABCG2MAPTNPC1GUSBKDM4E
SCHEMBL24976143 0.82 ABCG2 (0.46) ABCG2MAPTNPC1GUSBKDM4E
SCHEMBL31428610 0.82 GRM2 (0.46) KDM4EKMT2AGAAALDH1A1MEN1
SCHEMBL24976140 0.78 TP53 (0.46) LMNAHTTABCG2MAPTNPC1

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-2023008577-A1 RAS/RAF BINDING INHIBITOR COMPOUND 国立大学法人神戸大学 2023-02-02 WO disclosed