SCHEMBL28512950

SCHEMBL28512950

CCc1ccc(OC)c(S(=O)(=O)N(OCc2ccc(OC)cc2OC)c2noc3c(-c4cnn(C)c4)cccc23)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 2/20 0.36
▸ CDK2 P24941 2/20 0.36
▸ TTK P33981 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ BRD4 O60885 3/20 0.33
▸ KDR P35968 2/20 0.33
▸ FGFR3 P22607 1/20 0.33
▸ KAT7 O95251 4/20 0.32
▸ KAT6A Q92794 4/20 0.32
▸ KAT6B Q8WYB5 3/20 0.32
▸ KAT5 Q92993 2/20 0.32
▸ KAT8 Q9H7Z6 2/20 0.32
▸ ALPL P05186 1/20 0.32
▸ LOXL2 Q9Y4K0 2/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.31
▸ CSF1R P07333 2/20 0.31
▸ HTR6 P50406 1/20 0.31
▸ LRRK2 Q5S007 1/20 0.31
▸ PDGFRB P09619 1/20 0.31

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
SCHEMBL29652513 1.00 CCNA2 (0.36) CCNA2CDK2TTKKDM4EPOLB
SCHEMBL29652454 0.84 MAPT (0.36) POLBKAT7KAT6AKAT6BKAT5
SCHEMBL21596809 0.84 MAPT (0.36) POLBKAT7KAT6AKAT6BKAT5
SCHEMBL28906747 0.84 ALDH1A1 (0.32) POLBBRD4KAT7KAT6AKAT6B
SCHEMBL29652522 0.84 ALDH1A1 (0.32) POLBBRD4KAT7KAT6AKAT6B
SCHEMBL28507830 0.83 KAT7 (0.33) BRD4KAT7KAT6AKAT6BKAT5
SCHEMBL29652540 0.83 KAT7 (0.33) BRD4KAT7KAT6AKAT6BKAT5
SCHEMBL31605552 0.82 MAPT (0.38) KDM4EKAT7KAT6AKAT6BKAT5
SCHEMBL21596821 0.82 MAPT (0.38) KDM4EKAT7KAT6AKAT6BKAT5
SCHEMBL21596863 0.81 KDM4E (0.36) CCNA2CDK2TTKKDM4EPOLB

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-112334466-A Compound (I) CTXT私人有限公司 2021-02-05 — — CN disclosed
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