SCHEMBL7981346

SCHEMBL7981346

Cc1noc(C)c1Cn1nn[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
TSHR P16473 3/20 0.42
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
P2RX7 Q99572 1/20 0.40
TAS2R8 Q9NYW2 11/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 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
SCHEMBL7985092 0.73 CNR2 (0.33)
SCHEMBL7968381 0.71 MAPT (0.48)
SCHEMBL8307157 0.69 BRD4 (0.33)
SCHEMBL7981612 0.67 GRIN2B (0.36)
SCHEMBL4921799 0.66 TAS2R8 (0.54) ALDH1A1TSHRHTTSMN1; SMN2HSD17B10
SCHEMBL7979610 0.66 VHL (0.35) ALDH1A1
SCHEMBL3172918 0.66
SCHEMBL8684823 0.66
SCHEMBL19135116 0.65 NFE2L2 (0.33)
SCHEMBL8141481 0.64 KDM4E (0.38) ALDH1A1SMN1; SMN2

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-6262275-B1 AS HERBICIDES NIHON BAYER AGROCHEM K.K. (JP) 2001-07-17 US disclosed
US-6017853-A HERBICIDES; CHEMICAL INTERMEDIATES NIHON BAYER AGROCHEM K.K. (JP) 2000-01-25 US disclosed