Cetrimonium

Cetrimonium

SCHEMBL27973502

CCCCCCCCCCCCCCCC[N+](C)(C)C.O=S(O)O

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNM1 Q05193 8/20 0.71
▸ APAF1 O14727 1/20 0.65
▸ HSP90AA1 P07900 1/20 0.65
▸ RAD52 P43351 1/20 0.65
▸ MEN1 O00255 4/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ APEX1 P27695 3/20 0.52
▸ NFKB1 P19838 2/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ ACHE P22303 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ PMP22 Q01453 2/20 0.52
▸ LMNA P02545 2/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ HRH3 Q9Y5N1 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ LSS P48449 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.50
▸ HTT P42858 1/20 0.50

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
Cetrimonium SCHEMBL17668110 0.91 DNM1 (0.65) DNM1APAF1HSP90AA1RAD52MEN1
Sulfurous Acid SCHEMBL7640841 0.91 DNM1 (0.65) DNM1APAF1HSP90AA1RAD52MEN1
Cetrimonium SCHEMBL17668108 0.86 DNM1 (0.71) DNM1APAF1HSP90AA1RAD52MEN1
SCHEMBL93498 0.84 DNM1 (1.00) DNM1APAF1HSP90AA1RAD52MEN1
SCHEMBL5304747 0.84 DNM1 (1.00) DNM1APAF1HSP90AA1RAD52MEN1
Cetrimonium SCHEMBL23412540 0.84 DNM1 (1.00) DNM1APAF1HSP90AA1RAD52MEN1
SCHEMBL48999 0.84 DNM1 (1.00) DNM1APAF1HSP90AA1RAD52MEN1
SCHEMBL11758148 0.84 DNM1 (1.00) DNM1APAF1HSP90AA1RAD52MEN1
SCHEMBL240380 0.84 DNM1 (1.00) DNM1APAF1HSP90AA1RAD52MEN1
SCHEMBL2126215 0.84 DNM1 (1.00) DNM1APAF1HSP90AA1RAD52MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108431070-A Polyurethane catalysts from sulfur-based salts 赢创德固赛有限公司 2018-08-21 — — CN claimed
CN-106795261-A Polyurethane catalysts based on salts of sulfur 赢创德固赛有限公司 2017-05-31 — — CN claimed
CN-108431070-A Polyurethane catalysts from sulfur-based salts 赢创德固赛有限公司 2018-08-21 — — CN disclosed
CN-106795261-A Polyurethane catalysts based on salts of sulfur 赢创德固赛有限公司 2017-05-31 — — CN disclosed
CN-103966205-A Method for extracting ribonucleic acid from blood TAN XIAOGANG 2014-08-06 — — CN disclosed
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