SCHEMBL4609308

SCHEMBL4609308

CC(C)OC(=O)NN(C)C=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
HPGD P15428 2/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALOX15 P16050 1/20 0.31
HTT P42858 1/20 0.30

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
SCHEMBL6754749 0.78
SCHEMBL21990990 0.71 CTSK (0.38)
SCHEMBL27460865 0.69
Dimethylformamide SCHEMBL6927882 0.67 TSHR (0.67) TSHRSMN1; SMN2HCAR2
SCHEMBL13360611 0.67 TSHR (0.36) TSHRHPGDNPC1CYP1A2CYP2D6
SCHEMBL143364 0.66 TSHR (0.50) TSHRHPGDNPC1CYP1A2CYP2D6
SCHEMBL11437545 0.66 TSHR (0.50) TSHRHPGDNPC1CYP1A2CYP2D6
SCHEMBL1416660 0.66
SCHEMBL103480 0.64
SCHEMBL8858071 0.64

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
EP-1978023-A1 Pyridazines as fungicides Bayer CropScience Aktiengesellschaft (DE) 2008-10-08 EP claimed
EP-1978023-A1 Pyridazines as fungicides Bayer CropScience Aktiengesellschaft (DE) 2008-10-08 EP disclosed