SCHEMBL9716174

SCHEMBL9716174

CCCCNC(=O)n1c(NC(=O)O)nc2c(C)cccc21

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
ALDH1A1 P00352 2/20 0.56
ASAH1 Q13510 10/20 0.46
MCHR1 Q99705 1/20 0.42
TLR8 Q9NR97 1/20 0.40
CNR2 P34972 1/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 1/20 0.38
BCHE P06276 1/20 0.38

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
SCHEMBL6926893 0.83 TSHR (0.79) TSHRALDH1A1ASAH1MCHR1HTT
SCHEMBL3326269 0.82 ALDH1A1 (0.47) TSHRALDH1A1ASAH1TLR8CNR2
SCHEMBL28995206 0.81 EGFR (0.36) TSHRALDH1A1ASAH1HTTSMN1; SMN2
SCHEMBL9577668 0.79 ALDH1A1 (0.46) TSHRALDH1A1ASAH1TLR8CNR2
SCHEMBL9589510 0.77 ALDH1A1 (0.59) TSHRALDH1A1ASAH1TLR8KDM4E
SCHEMBL5570257 0.76 TSHR (0.67) TSHRALDH1A1ASAH1HTTKDM4E
SCHEMBL28539606 0.76 TSHR (0.53) TSHRALDH1A1ASAH1SMN1; SMN2KMT2A
SCHEMBL675169 0.74 TSHR (0.79) TSHRALDH1A1ASAH1HTTKDM4E
SCHEMBL7102687 0.73 TSHR (0.83) TSHRALDH1A1ASAH1MCHR1HTT
SCHEMBL28073618 0.73 TSHR (0.67) TSHRALDH1A1ASAH1MCHR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0305442-B1 FUNGICIDE COMPOSITIONS CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1992-09-09 EP claimed
EP-0305442-B1 FUNGICIDE COMPOSITIONS CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1992-09-09 EP disclosed
CN-85103896-A Organo phosphorous compounds, its preparation process and contain the desinsection of organophosphorus is killed mite, or nematicidal compositions 1987-09-16 CN disclosed