SCHEMBL25756850

SCHEMBL25756850

O=C(NC(=O)NC(=O)C(F)(F)F)NC(=O)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.50
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CA3 P07451 2/20 0.36
CA5A P35218 2/20 0.36
CA5B Q9Y2D0 2/20 0.36
CA12 O43570 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
EPHX1 P07099 1/20 0.33

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
SCHEMBL2833779 0.97 CA2 (0.53) CA2ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL2053132 0.83 CA2 (0.59) CA2ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL18160927 0.78 CA2 (0.53) CA2ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL6971654 0.75 CA2 (0.50) CA2ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL6971647 0.75 CA2 (0.50) CA2ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL6972222 0.73 CA2 (0.48) CA2ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL6972226 0.73 CA2 (0.48) CA2ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL8589178 0.73 CA2 (0.48) CA2ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL1618588 0.71 CA2 (0.53) CA2ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL1618655 0.71 CA2 (0.46) CA2ALDH1A1POLBSMN1; SMN2MEN1

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
WO-2023120687-A1 SECONDARY BATTERY 株式会社村田製作所 2023-06-29 WO disclosed