SCHEMBL16808282

SCHEMBL16808282

CNCCCCCOCCNC(=O)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
EPHX1 P07099 1/20 0.53
CA3 P07451 2/20 0.47
CA5A P35218 2/20 0.47
CA5B Q9Y2D0 2/20 0.47
CA14 Q9ULX7 2/20 0.47
CA12 O43570 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CES2 O00748 1/20 0.40
EPHX2 P34913 3/20 0.35
CYP2C19 P33261 1/20 0.34
PGK1 P00558 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
SCHEMBL16221898 0.84 MEN1 (0.79) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL10650040 0.82 ALDH1A1 (0.78) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL38654908 0.82 SMN1; SMN2 (0.62) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL4147505 0.79 ALDH1A1 (0.71) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL12037859 0.78 MAPK1 (0.50) MEN1KMT2AALDH1A1SMN1; SMN2EPHX2
SCHEMBL23168919 0.77 EPHX2 (0.39) MEN1KMT2AALDH1A1SMN1; SMN2EPHX1
SCHEMBL24262379 0.76 ALDH1A1 (0.50) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL19500429 0.76 ALDH1A1 (0.50) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL24793189 0.76 SMN1; SMN2 (0.50) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL16359229 0.76 EPHX1 (0.55) MEN1KMT2AALDH1A1POLBSMN1; SMN2

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-2015087857-A1 ARYL AMIDINE COMPOUND AND BACTERICIDAL AGENT 日本曹達株式会社 2015-06-18 WO disclosed