SCHEMBL19670547

SCHEMBL19670547

O=C(NCc1ncc(-c2cccc(NC(=O)N3c4nc(-c5cccc(C(F)(F)F)c5)ccc4N4CCC3CC4)c2)o1)OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.39
▸ RAF1 P04049 2/20 0.37
▸ BRAF P15056 2/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ EPHB4 P54760 2/20 0.35
▸ RORC P51449 2/20 0.35
▸ PTGES O14684 2/20 0.35
▸ MAPT P10636 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ BTK Q06187 1/20 0.34
▸ TRPV4 Q9HBA0 1/20 0.34

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
SCHEMBL16249968 0.96 MGLL (0.39) MGLLRAF1BRAFTRPV1EPHB4
SCHEMBL17618334 0.88 TRPV1 (0.36) RAF1BRAFTRPV1EPHB4MAPT
SCHEMBL16237965 0.87 KMT2A (0.37) RAF1BRAFTRPV1MAPTMEN1
SCHEMBL17618335 0.86 TRPV1 (0.39) TRPV1EPHB4MAPTMEN1ALDH1A1
SCHEMBL19699106 0.86 MGLL (0.43) MGLLRAF1BRAFTRPV1RORC
SCHEMBL16775772 0.84 FYN (0.37) RAF1BRAFTRPV1EPHB4PTGES
SCHEMBL16249949 0.84 FYN (0.34) RAF1BRAFTRPV1EPHB4MAPT
SCHEMBL19365249 0.84 TRPV1 (0.37) RAF1BRAFTRPV1EPHB4MAPT
Trifluoroacetic Acid SCHEMBL16238443 0.84 TRPV1 (0.34) RAF1BRAFTRPV1EPHB4MAPT
SCHEMBL16754701 0.83 DCUN1D1 (0.37) TRPV1

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-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
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