SCHEMBL25427425

SCHEMBL25427425

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ BRD4 O60885 2/20 0.35
▸ NOTUM Q6P988 1/20 0.34
▸ CREBBP Q92793 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ EP300 Q09472 1/20 0.34
▸ KCNA1 Q09470 1/20 0.34
▸ KCNAB1 Q14722 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ ALDH3A1 P30838 1/20 0.33
▸ NOD1 Q9Y239 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
SCHEMBL30381641 1.00 ALDH1A1 (0.37) ALDH1A1USP2LMNAGAASMN1; SMN2
SCHEMBL25304050 0.87 HTR6 (0.39) KMT2AMEN1MAPT
SCHEMBL30381434 0.87 HTR6 (0.39) KMT2AMEN1MAPT
SCHEMBL30381550 0.84 ALDH1A1 (0.39) ALDH1A1USP2LMNAGAASMN1; SMN2
SCHEMBL25428681 0.84 ALDH1A1 (0.39) ALDH1A1USP2LMNAGAASMN1; SMN2
SCHEMBL25427656 0.80 PTPN11 (0.39) ALDH1A1USP2LMNAGAASMN1; SMN2
SCHEMBL30381664 0.80 PTPN11 (0.39) ALDH1A1USP2LMNAGAASMN1; SMN2
SCHEMBL25439518 0.79 ALDH1A1 (0.36) ALDH1A1USP2LMNAGAASMN1; SMN2
SCHEMBL25299253 0.78 HTR6 (0.41) BRD4HTTPOLBALDH3A1NOD1
SCHEMBL30381621 0.78 HTR6 (0.41) BRD4HTTPOLBALDH3A1NOD1

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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