SCHEMBL9528310

SCHEMBL9528310

ClCCCCCn1cccn1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
DAO P14920 1/20 0.37
KCNA3 P22001 1/20 0.36
KCNA5 P22460 1/20 0.36
FDPS P14324 1/20 0.35
LMNA P02545 1/20 0.34
ALDH1A1 P00352 2/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
TSHR P16473 2/20 0.33
THRB P10828 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
IDO1 P14902 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HTT P42858 1/20 0.32

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
SCHEMBL1426071 0.91
Hydrochloric Acid SCHEMBL3789712 0.89 GAA (0.40) GAAMAPTDAOKCNA3KCNA5
SCHEMBL7100687 0.87 DAO (0.43) GAAMAPTDAOKCNA3KCNA5
SCHEMBL464768 0.82
SCHEMBL6114991 0.81 TBXAS1 (0.47) MAPTDAOLMNATLR8TLR7
SCHEMBL11440961 0.81 TBXAS1 (0.47) MAPTDAOLMNATLR8TLR7
SCHEMBL6114927 0.81 TBXAS1 (0.47) MAPTDAOLMNATLR8TLR7
SCHEMBL6114716 0.81 TBXAS1 (0.47) MAPTDAOLMNATLR8TLR7
SCHEMBL5691507 0.81 TBXAS1 (0.47) MAPTDAOLMNATLR8TLR7
SCHEMBL6114640 0.81 TBXAS1 (0.47) MAPTDAOLMNATLR8TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993001184-A1 IMIDAZOLES INHIBITORS AS ACAT AND THROMBOXANE TXA2 RHONE-POULENC RORER LIMITED (GB) 1993-01-21 WO disclosed
EP-0522887-A1 Imidazoles as ACAT- and thromboxane TxA2 inhibitors RHONE-POULENC RORER LIMITED (GB) 1993-01-13 EP disclosed