SCHEMBL25424437

SCHEMBL25424437

CCCCOC(=O)N1CCc2c(cnc3c2ccn3S(=O)(=O)c2ccc(C)cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.40
▸ GPR119 Q8TDV5 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ PKM P14618 1/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ PABPC1 P11940 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ POLB P06746 1/20 0.34

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
SCHEMBL25259649 0.84 HTR6 (0.41) KMT2AGPR119MEN1L3MBTL1MAPT
SCHEMBL30381756 0.73 CD4 (0.44) SMN1; SMN2GAAALDH1A1L3MBTL1LMNA
SCHEMBL25257908 0.73 CD4 (0.44) SMN1; SMN2GAAALDH1A1L3MBTL1LMNA
SCHEMBL25424441 0.72 NPSR1 (0.37) KMT2ASMN1; SMN2PKMNPSR1MEN1
SCHEMBL3797631 0.69 KDM4E (0.51) KMT2AGAAALDH1A1KDM4EL3MBTL1
SCHEMBL30381434 0.68 HTR6 (0.39) KMT2AGPR119MEN1MAPT
SCHEMBL25304050 0.68 HTR6 (0.39) KMT2AGPR119MEN1MAPT
SCHEMBL31212490 0.68 JAK1 (0.40) KMT2AGAAALDH1A1L3MBTL1LMNA
SCHEMBL1934659 0.68 L3MBTL1 (0.45) KMT2APKMGAAALDH1A1L3MBTL1
SCHEMBL1933804 0.67 KDM4E (0.49) KMT2ASMN1; SMN2MEN1GAAALDH1A1

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-2023107723-A2 METHODS FOR TREATING NEUROLOGICAL DISORDERS PROTHENA BIOSCIENCES LIMITED (IE) 2023-06-15 — — WO disclosed
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