SCHEMBL20345342

SCHEMBL20345342

N=Cc1ccc(C[n+]2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.48
▸ BCHE P06276 2/20 0.48
▸ CHKA P35790 8/20 0.41
▸ ALDH1A1 P00352 4/20 0.39
▸ LMNA P02545 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KDM4A O75164 1/20 0.37
▸ KDM2A Q9Y2K7 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ GFER P55789 1/20 0.37

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
SCHEMBL10325407 0.82 ACHE (0.64) ACHEBCHECHKAALDH1A1LMNA
Hydrochloric Acid SCHEMBL11637202 0.80 ACHE (0.61) ACHEBCHECHKAALDH1A1LMNA
Bromide SCHEMBL2831425 0.80 ACHE (0.68) ACHEBCHECHKAALDH1A1LMNA
SCHEMBL17686001 0.80 BCHE (0.48) ACHEBCHECHKAALDH1A1LMNA
SCHEMBL6554627 0.80 ACHE (0.48) ACHEBCHECHKAALDH1A1LMNA
Iodide SCHEMBL30070986 0.78 BCHE (0.47) ACHEBCHECHKAALDH1A1LMNA
Bromide SCHEMBL30071025 0.78 ACHE (0.52) ACHEBCHECHKAALDH1A1LMNA
Bromide SCHEMBL9394629 0.78 ACHE (0.52) ACHEBCHECHKAALDH1A1LMNA
Hydrochloric Acid SCHEMBL1008024 0.78 CA1 (0.48) ACHEBCHECHKAALDH1A1LMNA
SCHEMBL93665 0.75 CHKA (0.59) ACHEBCHECHKAALDH1A1LMNA

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
EP-2598511-B1 NOVEL STABLE AND HIGHLY TUNABLE METATHESIS CATALYSTS ECOLE NAT SUPERIEURE DE CHIMIE DE RENNES (FR) 2018-07-04 — — EP disclosed
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