SCHEMBL902006

SCHEMBL902006

CCCCCCCCn1ccnc1CC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.66
POLB P06746 3/20 0.55
ALDH1A1 P00352 2/20 0.55
KMT2A Q03164 1/20 0.55
TBXAS1 P24557 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
ALPG P10696 2/20 0.39
PLAA Q9Y263 1/20 0.39
ALPL P05186 1/20 0.38
NMT1 P30419 1/20 0.38
KCNH2 Q12809 1/20 0.38
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
HTT P42858 4/20 0.37
GALR3 O60755 2/20 0.37
ATM Q13315 2/20 0.37
MAPK1 P28482 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 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
SCHEMBL4230750 1.00 TLR8 (0.66) TLR8POLBALDH1A1KMT2ATBXAS1
SCHEMBL1879407 1.00 TLR8 (0.66) TLR8POLBALDH1A1KMT2ATBXAS1
SCHEMBL11531858 1.00 TLR8 (0.66) TLR8POLBALDH1A1KMT2ATBXAS1
SCHEMBL6889380 1.00 TLR8 (0.66) TLR8POLBALDH1A1KMT2ATBXAS1
Hydrochloric Acid SCHEMBL29272024 0.98 TLR8 (0.67) TLR8POLBALDH1A1KMT2ATBXAS1
Bromide SCHEMBL28568345 0.98 TLR8 (0.64) TLR8POLBALDH1A1KMT2ATBXAS1
Hydrochloric Acid SCHEMBL10768898 0.98 TLR8 (0.67) TLR8POLBALDH1A1KMT2ATBXAS1
SCHEMBL4227901 0.98 TLR8 (0.68) TLR8POLBALDH1A1KMT2ATBXAS1
SCHEMBL329466 0.92 ALDH1A1 (0.63) TLR8POLBALDH1A1KMT2AALPG
Iodide SCHEMBL4267902 0.91 ALDH1A1 (0.61) TLR8POLBALDH1A1KMT2AALPG

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-2621934-A1 ELECTROLYTE FORMULATIONS CONTAINING CYANO-ALKOXY-BORATE ANIONS Merck Patent GmbH (DE) 2013-08-07 EP disclosed
WO-2012041434-A1 ELECTROLYTE FORMULATIONS CONTAINING CYANO-ALKOXY-BORATE ANIONS MERCK PATENT GMBH (DE) 2012-04-05 WO disclosed
US-4140518-A IMIDAZOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1979-02-20 US disclosed
US-4062965-A Quaternary imidazole compounds as microbicides TH. GOLDSCHMIDT AG (DT) 1977-12-13 US disclosed