SCHEMBL25428681

SCHEMBL25428681

CC(=O)N1CCc2c(cnc3c2c(C2CCC2)cn3S(=O)(=O)c2ccc(C)cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.39
▸ USP2 O75604 3/20 0.39
▸ LMNA P02545 3/20 0.39
▸ GAA P10253 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ ENPP2 Q13822 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ AKR1C3 P42330 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ACHE P22303 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
SCHEMBL30381550 1.00 ALDH1A1 (0.39) ALDH1A1USP2LMNAGAASMN1; SMN2
SCHEMBL25427425 0.84 ALDH1A1 (0.37) ALDH1A1USP2LMNAGAASMN1; SMN2
SCHEMBL30381641 0.84 ALDH1A1 (0.37) ALDH1A1USP2LMNAGAASMN1; SMN2
SCHEMBL30381748 0.80 HTR6 (0.38) LMNAGAAPOLBL3MBTL1ACHE
SCHEMBL25426614 0.80 HTR6 (0.38) LMNAGAAPOLBL3MBTL1ACHE
SCHEMBL25427656 0.76 PTPN11 (0.39) ALDH1A1USP2LMNAGAASMN1; SMN2
SCHEMBL30381664 0.76 PTPN11 (0.39) ALDH1A1USP2LMNAGAASMN1; SMN2
SCHEMBL25439518 0.76 ALDH1A1 (0.36) ALDH1A1USP2LMNAGAASMN1; SMN2
SCHEMBL25424441 0.73 NPSR1 (0.37) ALDH1A1USP2LMNAGAASMN1; SMN2
SCHEMBL25304050 0.73 HTR6 (0.39) KMT2AMEN1HTR6

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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