SCHEMBL47344

SCHEMBL47344

NCNC(=O)C(F)(F)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CA2 P00918 4/20 0.33
CA1 P00915 2/20 0.33
CA3 P07451 2/20 0.31
CA5A P35218 2/20 0.31
CA5B Q9Y2D0 2/20 0.31
CA12 O43570 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31

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
SCHEMBL20045683 0.81 ALDH1A1 (0.43) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL29241483 0.79 ALDH1A1 (0.41) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL16640879 0.79
SCHEMBL20050529 0.78 ALDH1A1 (0.50) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL29241535 0.76 ALDH1A1 (0.48) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL16640898 0.76 ALDH1A1 (0.33) ALDH1A1POLBSMN1; SMN2CA2CA1
SCHEMBL20051724 0.76 ALDH1A1 (0.54) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL29241624 0.74 SMN1; SMN2 (0.52) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL19170051 0.73 EGLN1 (0.37) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL8424916 0.71 ALDH1A1 (0.43) ALDH1A1POLBSMN1; SMN2MEN1KMT2A

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-2582696-B1 5-ARYL ISOXAZOLINES FOR CONTROLLING PESTS NOVARTIS AG (CH) 2014-10-22 EP disclosed
WO-2011157748-A1 5-ARYL ISOXAZOLINES FOR CONTROLLING PESTS NOVARTIS AG (CH) 2011-12-22 WO disclosed