SCHEMBL14040904

SCHEMBL14040904

NC(N)(N)CNC(=O)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
POLB P06746 1/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CA3 P07451 2/20 0.45
CA5A P35218 2/20 0.45
CA5B Q9Y2D0 2/20 0.45
CA2 P00918 2/20 0.45
CA14 Q9ULX7 2/20 0.45
CA12 O43570 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
EPHX1 P07099 1/20 0.42
PGK1 P00558 1/20 0.38
PGK2 P07205 1/20 0.38
GLA P06280 1/20 0.31
HPGD P15428 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
SCHEMBL2392882 0.81 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL1618469 0.79 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
Water SCHEMBL5564902 0.77 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL8071669 0.75 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL1272472 0.74
SCHEMBL16640879 0.74
SCHEMBL10309174 0.73 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL24687426 0.73 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL13861685 0.73 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL23819885 0.72 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2POLBMEN1KMT2A

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
EP-1539693-B9 CANNABINOID RECEPTOR AGONISTS SCHERING CORP (US) 2008-10-08 EP disclosed