SCHEMBL9067633

SCHEMBL9067633

CC(=O)C(Cl)=NNc1cccc(Cl)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.70
SMN1; SMN2 Q16637 5/20 0.70
GAA P10253 5/20 0.70
LMNA P02545 4/20 0.70
ALDH1A1 P00352 3/20 0.55
NPSR1 Q6W5P4 1/20 0.55
MEN1 O00255 8/20 0.55
KMT2A Q03164 8/20 0.55
GFER P55789 1/20 0.55
TDP1 Q9NUW8 4/20 0.54
CYP3A4 P08684 1/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
HSD17B10 Q99714 1/20 0.54
CISD1 Q9NZ45 1/20 0.54
HTT P42858 3/20 0.50
KYAT1 Q16773 1/20 0.47
RAPGEF3 O95398 1/20 0.47
RAPGEF4 Q8WZA2 1/20 0.47
NPC1 O15118 4/20 0.47

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
SCHEMBL9067769 1.00 MAPT (0.70) MAPTSMN1; SMN2GAALMNAALDH1A1
SCHEMBL519291 0.85 MAPT (0.72) MAPTSMN1; SMN2GAALMNAALDH1A1
SCHEMBL9068415 0.84 SMN1; SMN2 (0.58) MAPTSMN1; SMN2GAALMNAALDH1A1
SCHEMBL9068410 0.84 SMN1; SMN2 (0.58) MAPTSMN1; SMN2GAALMNAALDH1A1
SCHEMBL20364255 0.81 CA1 (0.50) MAPTSMN1; SMN2GAALMNAALDH1A1
SCHEMBL9068343 0.81 CA1 (0.50) MAPTSMN1; SMN2GAALMNAALDH1A1
SCHEMBL9068404 0.81 CA1 (0.50) MAPTSMN1; SMN2GAALMNAALDH1A1
SCHEMBL5252880 0.81 KYAT1 (0.67) MAPTSMN1; SMN2GAALMNAALDH1A1
SCHEMBL6107763 0.81 KYAT1 (0.67) MAPTSMN1; SMN2GAALMNAALDH1A1
SCHEMBL5252876 0.81 KYAT1 (0.67) MAPTSMN1; SMN2GAALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5506228-A 2,6-diaryl pyridazinones with immunosuppressant activity MERCK & CO., INC. (US) 1996-04-09 US disclosed