SCHEMBL17778543

SCHEMBL17778543

O=C(Nc1ccnc(OC[C@@H](O)CO)c1)N1c2nc(-c3cccc(C(F)(F)F)c3)ncc2N2CCC1C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 6/20 0.37
▸ FFAR4 Q5NUL3 1/20 0.36
▸ SCN10A Q9Y5Y9 3/20 0.36
▸ LMNA P02545 3/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ USP2 O75604 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ TRPV1 Q8NER1 2/20 0.35
▸ BRAF P15056 2/20 0.35
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RECQL P46063 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
SCHEMBL20550448 1.00 RAF1 (0.37) RAF1FFAR4SCN10ALMNAMEN1
SCHEMBL20550447 1.00 RAF1 (0.37) RAF1FFAR4SCN10ALMNAMEN1
Hydrochloric Acid SCHEMBL20550370 0.99 RAF1 (0.37) RAF1FFAR4SCN10ALMNAMEN1
Hydrochloric Acid SCHEMBL17769614 0.99 RAF1 (0.37) RAF1FFAR4SCN10ALMNAMEN1
SCHEMBL20550498 0.96 TRPV1 (0.38) RAF1FFAR4SCN10ALMNAMEN1
SCHEMBL17769801 0.96 TRPV1 (0.38) RAF1FFAR4SCN10ALMNAMEN1
SCHEMBL20550854 0.96 TRPV1 (0.38) RAF1FFAR4SCN10ALMNAMEN1
SCHEMBL17769780 0.91 RAF1 (0.38) RAF1FFAR4KDM4ETRPV1BRAF
SCHEMBL20550507 0.91 RAF1 (0.38) RAF1FFAR4KDM4ETRPV1BRAF
SCHEMBL17769781 0.91 RAF1 (0.38) RAF1FFAR4KDM4ETRPV1BRAF

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-2016079712-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO disclosed
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