SCHEMBL9327504

SCHEMBL9327504

C=CC=NNc1ccccc1.C=CC[N+](C)(C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 8/20 0.42
▸ BCHE P06276 2/20 0.38
▸ NOX1 Q9Y5S8 2/20 0.37
▸ GAA P10253 6/20 0.34
▸ MAPT P10636 5/20 0.33
▸ MEN1 O00255 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ HPGD P15428 2/20 0.33
▸ GFER P55789 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ MAPK1 P28482 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ NPC1 O15118 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
SCHEMBL8756173 0.79 ACHE (0.59) ACHEBCHEALDH1A1SMN1; SMN2TDP1
SCHEMBL1876868 0.79 NOX1 (0.54) NOX1GAAMAPTMEN1KMT2A
SCHEMBL1876865 0.79 NOX1 (0.54) NOX1GAAMAPTMEN1KMT2A
Iodide SCHEMBL3434472 0.78 ACHE (0.58) ACHEBCHEALDH1A1SMN1; SMN2MAPK1
Bromide SCHEMBL6956206 0.78 ACHE (0.62) ACHEBCHEKMT2AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL716655 0.78 ACHE (0.58) ACHEBCHEALDH1A1SMN1; SMN2TDP1
SCHEMBL16111930 0.68 NOX1 (0.62) NOX1GAAMAPTMEN1KMT2A
SCHEMBL16111932 0.68 NOX1 (0.62) NOX1GAAMAPTMEN1KMT2A
SCHEMBL13109406 0.68 NOX1 (0.62) NOX1GAAMAPTMEN1KMT2A
Ammonia Solution, Strong SCHEMBL9327507 0.68 KMT2A (0.36) NOX1GAAMAPTMEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0584204-A1 MARINE COMPOSITIONS BEARING PREFERENTIALLY CONCENTRATED DOMAINS OF NON-TIN, ORGANO ANTI-FOULING AGENTS BATTELLE MEMORIAL INSTITUTE (US) 1994-03-02 — — EP claimed
WO-1992020747-A1 MARINE COMPOSITIONS BEARING PREFERENTIALLY CONCENTRATED DOMAINS OF NON-TIN, ORGANO ANTI-FOULING AGENTS BATTELLE MEMORIAL INSTITUTE (US) 1992-11-26 — — WO claimed
EP-0449975-A1 NON-TIN-BASED, LOW TOXICITY ANTI-FOULING AGENTS. BATTELLE MEMORIAL INSTITUTE (US) 1991-10-09 — — EP claimed
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