SCHEMBL7582095

SCHEMBL7582095

C=C1[C@@H](c2ccc(C(F)(F)F)cc2)[C@@](C)(c2ccc(F)c(F)c2)NC(=N)N1C

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL7582171 0.93
SCHEMBL7583487 0.91 ABCC9 (0.32) MEN1KMT2A
SCHEMBL7589323 0.88 AR (0.33)
SCHEMBL7580536 0.88 NPY5R (0.34) MEN1KMT2A
SCHEMBL7541540 0.87 MEN1 (0.35) MEN1KMT2A
SCHEMBL13054967 0.87 MEN1 (0.35) MEN1KMT2A
SCHEMBL7588393 0.86 P2RX7 (0.34) MEN1KMT2A
SCHEMBL7581886 0.86 KDM1A (0.34) MEN1KMT2A
SCHEMBL7583661 0.85 PGR (0.31) MEN1KMT2A
SCHEMBL7581503 0.85 NR1H2 (0.30)

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