SCHEMBL17778533

SCHEMBL17778533

FC(F)(F)[C@H]1CCCN1c1ccc2c(n1)NC1CCCN2C1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 1/20 0.32
▸ 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
SCHEMBL16754694 1.00 MAP4K4 (0.32) MAP4K4MEN1KMT2A
SCHEMBL16754611 1.00 MAP4K4 (0.32) MAP4K4MEN1KMT2A
SCHEMBL16754610 1.00 MAP4K4 (0.32) MAP4K4MEN1KMT2A
SCHEMBL16237499 0.82 MAP4K4 (0.49) MAP4K4
SCHEMBL20632886 0.82 MAP4K4 (0.49) MAP4K4
SCHEMBL16249992 0.82 MAP4K4 (0.49) MAP4K4
SCHEMBL17778379 0.82 MAP4K4 (0.49) MAP4K4
SCHEMBL19699035 0.81 MAP4K4 (0.48) MAP4K4
SCHEMBL16754566 0.81 MAP4K4 (0.46) MAP4K4
SCHEMBL17778528 0.81 MAP4K4 (0.46) MAP4K4

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
WO-2016079711-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO disclosed
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