SCHEMBL24797212

SCHEMBL24797212

CN1CCCc2ccc(S(C)(C)c3cc4c(cc3N=O)CCCN4C)cc21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NLRP3 Q96P20 8/20 0.34
▸ CHRM2 P08172 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ RRM1 P23921 1/20 0.33
▸ RRM2B Q7LG56 1/20 0.33
▸ EIF2AK2 P19525 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ TP53 P04637 2/20 0.31
▸ FBP1 P09467 1/20 0.31

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
SCHEMBL10894570 0.73 ALDH1A1 (0.45) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL24797322 0.72 NOTUM (0.41) ALDH1A1MEN1GAAKMT2A
SCHEMBL10895428 0.72 ALDH1A1 (0.48) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL3183440 0.72 KMT2A (0.44) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL10895434 0.72 ALDH1A1 (0.44) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL24797211 0.71 ALDH1A1 (0.39) ALDH1A1MEN1GAAMAPTHPGD
Hydrochloric Acid SCHEMBL9737645 0.71 ALDH1A1 (0.43) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL17174804 0.67 ALDH1A1 (0.56) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL2292249 0.66 ALDH1A1 (0.58) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL14115845 0.65 NLRP3 (0.50) ALDH1A1MEN1GAAMAPTHPGD

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
US-11535754-B2 Silicon containing detectable compounds and uses thereof Singular Genomics Systems, Inc. (US) 2022-12-27 — — US disclosed
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