SCHEMBL31083161

SCHEMBL31083161

COCOc1cc2cnn(C)c(=O)c2cc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ XBP1 P17861 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ PAX8 Q06710 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ KMT2A Q03164 1/20 0.31
▸ ALDH1A3 P47895 1/20 0.31
▸ PIK3CD O00329 1/20 0.30
▸ ABL1 P00519 1/20 0.30
▸ EGFR P00533 1/20 0.30
▸ HCK P08631 1/20 0.30
▸ SRC P12931 1/20 0.30
▸ KDR P35968 1/20 0.30

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
SCHEMBL31083319 0.85 LRRK2 (0.44) LRRK2ALDH1A1NPC1RAB9ALMNA
SCHEMBL31083327 0.82 LRRK2 (0.37) LRRK2RXFP1
SCHEMBL22324524 0.79 EGFR (0.34) MAPTPIK3CDABL1EGFRHCK
SCHEMBL25213735 0.79 LRRK2 (0.47) LRRK2ALDH1A1NPC1RAB9ALMNA
SCHEMBL29380274 0.79 LRRK2 (0.47) LRRK2ALDH1A1NPC1RAB9ALMNA
SCHEMBL28644933 0.77 TNF (0.37) LMNAMAPTPIK3CDABL1EGFR
SCHEMBL30186361 0.77 TNF (0.37) LMNAMAPTPIK3CDABL1EGFR
SCHEMBL29702360 0.75 LRRK2 (0.50) LRRK2ALDH1A1GAAMAPTHTT
SCHEMBL26100427 0.75 LRRK2 (0.50) LRRK2ALDH1A1GAAMAPTHTT
SCHEMBL31083005 0.73 ERCC1 (0.35) LRRK2ALDH1A1NPC1RAB9ALMNA

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-2024182747-A2 COMPOUNDS AND METHODS FOR MODULATING SPLICING REMIX THERAPEUTICS INC. (US) 2024-09-06 — — WO disclosed
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