Charcoal, Activated

Charcoal, Activated

SCHEMBL10902872

C=CCc1ccccc1-c1cc(N)ccc1N.[C]

nearest known ligand 0.42

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.42
GABRB2 P47870 3/20 0.42
AKR1B1 P15121 1/20 0.37
ALDH1A1 P00352 5/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PTPRC P08575 2/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
APAF1 O14727 1/20 0.36
TDP2 O95551 1/20 0.36
NSD2 O96028 1/20 0.36
PLA2G1B P04054 1/20 0.36

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
SCHEMBL10439799 0.87 PTPRC (0.50) GABRA1GABRB2AKR1B1ALDH1A1NPC1
SCHEMBL5824164 0.86 GABRA1 (0.47) GABRA1GABRB2AKR1B1ALDH1A1NPC1
SCHEMBL6406262 0.84 GABRA1 (0.44) GABRA1GABRB2AKR1B1ALDH1A1NPC1
SCHEMBL1646926 0.83 ALDH1A1 (0.52) GABRA1GABRB2AKR1B1ALDH1A1SMN1; SMN2
SCHEMBL4626943 0.81 AKR1B1 (0.41) GABRA1GABRB2AKR1B1ALDH1A1NPC1
SCHEMBL2362466 0.78 GABRA1 (0.61) GABRA1GABRB2AKR1B1ALDH1A1CYP3A4
SCHEMBL29900352 0.78 GABRA1 (0.61) GABRA1GABRB2AKR1B1ALDH1A1CYP3A4
SCHEMBL27735945 0.78 DPP4 (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL31290769 0.77 GABRA1 (0.41) GABRA1GABRB2ALDH1A1CYP3A4TDP1
SCHEMBL1334151 0.77 GABRA1 (0.41) GABRA1GABRB2AKR1B1ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0131191-B1 ORGANOCLAY-ANTIOZONANT COMPLEX GEORGIA KAOLIN COMPANY, INC. (US) 1986-11-26 EP claimed
US-4532285-A Mixing smectite clay with quaternary amine, polar solvent, antiozonant to form expanded organoclay derivative complexed with antiozonant GEORGIA KAOLIN COMPANY, INC. (US) 1985-07-30 US claimed
EP-0131191-A1 Organoclay-antiozonant complex GEORGIA KAOLIN COMPANY, INC. (US) 1985-01-16 EP claimed
EP-0131191-B1 ORGANOCLAY-ANTIOZONANT COMPLEX GEORGIA KAOLIN COMPANY, INC. (US) 1986-11-26 EP disclosed