SCHEMBL7583551

SCHEMBL7583551

C=C1[C@@H](c2ccc(C(F)(F)F)cc2)[C@@](C)(c2ccc(F)cc2C)NC(=N)N1C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR7 P34969 1/20 0.31
PGR P06401 1/20 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
SCHEMBL7588403 0.93
SCHEMBL18294773 0.91 MEN1 (0.35) MEN1KMT2A
SCHEMBL7589121 0.91 MEN1 (0.35) MEN1KMT2A
SCHEMBL7588172 0.89 MEN1 (0.33) MEN1KMT2A
SCHEMBL18294771 0.89 MEN1 (0.33) MEN1KMT2A
SCHEMBL13053891 0.88 MEN1 (0.36) MEN1KMT2AHTR7PGR
SCHEMBL7553578 0.88 MEN1 (0.36) MEN1KMT2AHTR7PGR
SCHEMBL7580536 0.84 NPY5R (0.34) MEN1KMT2A
SCHEMBL7583745 0.84
SCHEMBL7579947 0.82 TP53 (0.31)

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