SCHEMBL8947041

SCHEMBL8947041

O=C(O)c1nsc(-c2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
KMO O15229 2/20 0.56
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALPL P05186 1/20 0.48
ALPI P09923 1/20 0.48
XDH P47989 1/20 0.48
PIN1 Q13526 1/20 0.48
MAPT P10636 1/20 0.46
LDHA P00338 1/20 0.45
TLR7 Q9NYK1 1/20 0.45
CFTR P13569 1/20 0.45
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
POLB P06746 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43

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
SCHEMBL28762430 0.82 MAPT (0.45) ALDH1A1SMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL8947158 0.78 ADORA3 (0.53) ALDH1A1SMN1; SMN2KDM4EMAPTADORA2A
SCHEMBL28402665 0.78 HSD17B1 (0.53) ALDH1A1SMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL2638150 0.78 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2KMOKMT2AMEN1
SCHEMBL8842864 0.73 KMO (0.56) ALDH1A1SMN1; SMN2KMOKMT2AMEN1
SCHEMBL979633 0.73 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2KMOKMT2AMEN1
SCHEMBL1199183 0.73 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2KMOKMT2AMEN1
SCHEMBL23794594 0.72 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2KMOKMT2AMEN1
SCHEMBL8843382 0.71 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2KMOKMT2AMEN1
SCHEMBL11002986 0.71 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2KMOKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5583092-A PLANT ANTIGROWTH AGENTS AMERICAN CYANAMID COMPANY (US) 1996-12-10 US disclosed
EP-0726261-A1 Herbidical 1,2,4 thiadiazoles American Cyanamid Company (US) 1996-08-14 EP disclosed
EP-0726260-A1 Herbicidal (1,2,4)thiadiazoles AMERICAN CYANAMID COMPANY (US) 1996-08-14 EP disclosed