SCHEMBL25859580

SCHEMBL25859580

Cc1cn(SI)c2ncc3c(c12)CCN(C(=O)OC(C)(C)C)C3

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.43
▸ ESR2 Q92731 1/20 0.41
▸ NR1H2 P55055 1/20 0.40
▸ ACACB O00763 1/20 0.37
▸ ADORA1 P30542 2/20 0.36
▸ MKNK1 Q9BUB5 4/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ TNKS2 Q9H2K2 1/20 0.36
▸ PARP2 Q9UGN5 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ NAMPT P43490 1/20 0.36
▸ UCHL1 P09936 1/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ GRM1 Q13255 1/20 0.35
▸ P2RX3 P56373 1/20 0.35

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
SCHEMBL25859739 0.86 MAPT (0.39) MAPTESR2NR1H2ACACBMKNK1
SCHEMBL25304050 0.72 HTR6 (0.39) MAPTESR2NR1H2ACACBMKNK1
SCHEMBL30381434 0.72 HTR6 (0.39) MAPTESR2NR1H2ACACBMKNK1
SCHEMBL25428616 0.72 MAPT (0.45) MAPTESR2NR1H2ACACBADORA1
SCHEMBL30380944 0.72 MAPT (0.45) MAPTESR2NR1H2ACACBADORA1
SCHEMBL2487129 0.71 MAPT (0.46) MAPTESR2NR1H2ACACBADORA1
SCHEMBL31164759 0.69 MAPT (0.51) MAPTESR2NR1H2SCN9APARP1
SCHEMBL20364331 0.69 ESR2 (0.61) MAPTESR2NR1H2MAPK1NAMPT
SCHEMBL2487072 0.69 PARP1 (0.45) MAPTESR2NR1H2MKNK1SCN9A
SCHEMBL2486452 0.68 NR1H2 (0.51) MAPTESR2NR1H2ACACBADORA1

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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