SCHEMBL7564185

SCHEMBL7564185

COC(=O)C(=NNC(C)(C)C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 2/20 0.44
SRC P12931 1/20 0.41
GAA P10253 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.39
CYP2C9 P11712 1/20 0.38
EPHX1 P07099 1/20 0.38
ELANE P08246 1/20 0.38
CES1 P23141 2/20 0.38
PRSS1 P07477 2/20 0.38
CTSG P08311 2/20 0.38
CTRB1 P17538 2/20 0.38
CMA1 P23946 2/20 0.38
ADRB2 P07550 1/20 0.37
ADRB1 P08588 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
SCHEMBL7071497 0.84 POLB (0.49) SMN1; SMN2TSHRSRCGAACYP2C19
SCHEMBL10333091 0.78 ALDH1A1 (0.52) SMN1; SMN2TSHRSRCGAAALDH1A1
SCHEMBL6703692 0.78 SMN1; SMN2 (0.72) SMN1; SMN2TSHRCYP2C19ALDH1A1MAPT
SCHEMBL5797662 0.78 SMN1; SMN2 (0.72) SMN1; SMN2TSHRCYP2C19ALDH1A1MAPT
SCHEMBL6025442 0.77 GAA (0.57) SMN1; SMN2TSHRSRCGAACYP2C19
SCHEMBL6157370 0.77 GAA (0.57) SMN1; SMN2TSHRSRCGAACYP2C19
SCHEMBL6025444 0.77 GAA (0.57) SMN1; SMN2TSHRSRCGAACYP2C19
SCHEMBL9461030 0.77 TSHR (0.44) SMN1; SMN2TSHRSRCALDH1A1MAPT
SCHEMBL6932293 0.77 TSHR (0.44) SMN1; SMN2TSHRSRCGAACYP2C19
SCHEMBL21884118 0.75 TSHR (0.50) SMN1; SMN2TSHRSRCGAACYP2C19

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-1200393-A1 OXIME AMIDES AND HYDRAZONE AMIDES HAVING FUNGICIDAL ACTIVITY Monsanto Technology LLC (US) 2002-05-02 EP disclosed
WO-2001012590-A1 OXYME AMIDES AND HYDRAZONE AMIDES HAVING FUNGICIDAL ACTIVITY MONSANTO TECHNOLOGY LLC (US) 2001-02-22 WO disclosed