SCHEMBL25424441

SCHEMBL25424441

CCCCc1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc3c(c12)CCN(C(=O)O)C3

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.37
▸ CD4 P01730 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ GAA P10253 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ AGTR1 P30556 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ OXTR P30559 1/20 0.34
▸ AVPR1A P37288 1/20 0.34
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ HTR6 P50406 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
SCHEMBL25439518 0.82 ALDH1A1 (0.36) NPSR1CD4ALDH1A1GAALMNA
SCHEMBL25427425 0.77 ALDH1A1 (0.37) NPSR1ALDH1A1GAALMNAUSP2
SCHEMBL30381641 0.77 ALDH1A1 (0.37) NPSR1ALDH1A1GAALMNAUSP2
SCHEMBL25428681 0.73 ALDH1A1 (0.39) ALDH1A1GAALMNAUSP2SMN1; SMN2
SCHEMBL30381550 0.73 ALDH1A1 (0.39) ALDH1A1GAALMNAUSP2SMN1; SMN2
SCHEMBL30381434 0.72 HTR6 (0.39) KMT2AMEN1HTR6ESR2
SCHEMBL25304050 0.72 HTR6 (0.39) KMT2AMEN1HTR6ESR2
SCHEMBL25424437 0.72 KMT2A (0.40) NPSR1ALDH1A1GAALMNASMN1; SMN2
SCHEMBL25427656 0.71 PTPN11 (0.39) ALDH1A1GAALMNAUSP2SMN1; SMN2
SCHEMBL30381664 0.71 PTPN11 (0.39) ALDH1A1GAALMNAUSP2SMN1; SMN2

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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