SCHEMBL7579947

SCHEMBL7579947

C=C1[C@@H](c2ccc(C(C)(C)C)cc2)[C@@](C)(c2ccc(F)cc2F)NC(=N)N1C

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TP53 P04637 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
SCHEMBL18294778 1.00 TP53 (0.31) TP53
SCHEMBL7583745 0.93
SCHEMBL7589121 0.92 MEN1 (0.35)
SCHEMBL18294773 0.92 MEN1 (0.35)
SCHEMBL7585843 0.88
SCHEMBL18294769 0.88
SCHEMBL13053906 0.88 TP53 (0.34) TP53
SCHEMBL7568619 0.88 TP53 (0.34) TP53
SCHEMBL7581538 0.86 AKR1A1 (0.33)
SCHEMBL7581116 0.85 TP53 (0.31) TP53

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