SCHEMBL9750658

SCHEMBL9750658

CN(C)c1ccc[n+](C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 6/20 0.48
LMNA P02545 5/20 0.43
TSHR P16473 3/20 0.43
BCHE P06276 2/20 0.43
GLA P06280 2/20 0.43
ACHE P22303 2/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 5/20 0.41
NNMT P40261 1/20 0.41
USP2 O75604 1/20 0.41
HTT P42858 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
ALPG P10696 1/20 0.39
THRB P10828 1/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALOX15 P16050 1/20 0.39

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
Fluoride Ion SCHEMBL18740622 0.81 HDAC8 (0.48) HDAC8LMNATSHRBCHEGLA
Bromide SCHEMBL18740639 0.77 HDAC8 (0.45) HDAC8LMNATSHRBCHEGLA
SCHEMBL9750656 0.74 ALDH1A1 (0.40) LMNATSHRGLAMAPK1ALDH1A1
Iodide SCHEMBL18740643 0.74 HDAC8 (0.42) HDAC8LMNATSHRBCHEGLA
Fluoride Ion SCHEMBL18740632 0.74 HDAC8 (0.42) HDAC8LMNATSHRBCHEGLA
SCHEMBL13914233 0.73 MAPK1 (0.61) TSHRGLAMAPK1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL18740634 0.71 HDAC8 (0.39) HDAC8LMNATSHRBCHEGLA
SCHEMBL25803458 0.71 ALDH1A1 (0.38) LMNATSHRALDH1A1HTTSMN1; SMN2
SCHEMBL1940232 0.69 ALDH1A1 (0.61) HDAC8LMNATSHRMAPK1ALDH1A1
SCHEMBL16711558 0.69 HDAC8 (0.56) HDAC8LMNATSHRBCHEGLA

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
US-5028601-A Substituted with an amino thiazole group and a dihydroxy-pyridone group MEIJI SAIKA KAISHA, LTD. (JP) 1991-07-02 US disclosed
EP-0289002-A2 Novel cephalosporin compounds and antibacterial agents MEIJI SEIKA KAISHA LTD. (JP) 1988-11-02 EP disclosed