SCHEMBL9750563

SCHEMBL9750563

CCOC(=O)c1nnsc1S

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
ILK Q13418 1/20 0.51
ALDH1A1 P00352 5/20 0.48
MAPT P10636 5/20 0.48
HTT P42858 1/20 0.48
KDM4E B2RXH2 4/20 0.45
POLB P06746 1/20 0.45
CYP1A2 P05177 2/20 0.42
GAA P10253 2/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 1/20 0.38
ALOX12 P18054 1/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.37
ALOX15 P16050 1/20 0.37
KMT2A Q03164 1/20 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
SCHEMBL20027965 0.82 TSHR (0.58) TSHRILKALDH1A1MAPTHTT
SCHEMBL7794327 0.81 TSHR (0.61) TSHRILKALDH1A1MAPTHTT
SCHEMBL9296047 0.79 TSHR (0.58) TSHRILKALDH1A1MAPTHTT
SCHEMBL7516781 0.79 TSHR (0.58) TSHRILKALDH1A1MAPTHTT
SCHEMBL9332640 0.76 TSHR (0.55) TSHRILKALDH1A1MAPTHTT
SCHEMBL9332630 0.75 TSHR (0.54) TSHRILKALDH1A1MAPTHTT
SCHEMBL31299616 0.74 TSHR (0.53) TSHRILKALDH1A1MAPTHTT
SCHEMBL7794805 0.73 TSHR (0.78) TSHRILKALDH1A1MAPTHTT
SCHEMBL28802104 0.73 TSHR (0.52) TSHRILKALDH1A1MAPTHTT
SCHEMBL6815148 0.71 ILK (0.61) TSHRILKALDH1A1MAPTHTT

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