SCHEMBL9751005

SCHEMBL9751005

COC(=O)c1nc(NC(C)(C)C)sc1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 3/20 0.45
HPGD P15428 3/20 0.45
HSD17B10 Q99714 2/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
MAPT P10636 2/20 0.44
PKM P14618 1/20 0.41
RCE1 Q9Y256 1/20 0.41
PIN1 Q13526 1/20 0.41
F2RL3 Q96RI0 1/20 0.41
RORB Q92753 1/20 0.41
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CG P48736 1/20 0.40
MAPK14 Q16539 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL923144 0.85 ALDH1A1 (0.48) GAAALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL268694 0.85 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10
SCHEMBL923710 0.84 KDM4E (0.67) ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10
SCHEMBL5051440 0.83 IL2 (0.55) GAAALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL9750536 0.83 KDM4E (0.42) GAAALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL14364277 0.82 GAA (0.49) GAAALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL9750575 0.81 MAPT (0.53) GAAALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL924311 0.80 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10
SCHEMBL5046978 0.79 KMT2A (0.43) GAAALDH1A1SMN1; SMN2KDM4EHPGD
Hydrochloric Acid SCHEMBL14988066 0.78 KMT2A (0.43) GAAALDH1A1SMN1; SMN2KDM4EHPGD

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-5000775-A 2-amino-4,5-disubstituted-oxazole/thiazole compounds as herbicide antidotes MONSANTO COMPANY (US) 1991-03-19 US disclosed