SCHEMBL7580536

SCHEMBL7580536

C=C1[C@@H](c2ccc(C(F)(F)F)cc2)[C@@](C)(c2ccc(F)cc2)NC(=N)N1C

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC6A9 P48067 1/20 0.32
RORC P51449 2/20 0.30

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
SCHEMBL18294770 0.92
SCHEMBL7585494 0.92
SCHEMBL7581116 0.91 TP53 (0.31)
SCHEMBL7582095 0.88 MEN1 (0.31) MEN1KMT2A
SCHEMBL7588393 0.87 P2RX7 (0.34) MEN1KMT2A
SCHEMBL7585732 0.86 MEN1 (0.37) NPY5RMEN1KMT2ASLC6A9RORC
SCHEMBL13054488 0.86 MEN1 (0.37) NPY5RMEN1KMT2ASLC6A9RORC
SCHEMBL7583487 0.85 ABCC9 (0.32) MEN1KMT2A
SCHEMBL7588172 0.85 MEN1 (0.33) MEN1KMT2A
SCHEMBL7589121 0.85 MEN1 (0.35) MEN1KMT2A

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
US-8183252-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-22 US disclosed