SCHEMBL17778474

SCHEMBL17778474

O=C(Nc1ccnc(OCCCCO)c1)N1c2nc(-c3cccc(C(F)(F)F)c3)ncc2N2CCC[C@H]1C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.38
▸ USP2 O75604 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TRPV1 Q8NER1 2/20 0.37
▸ KIF11 P52732 1/20 0.36
▸ RHOA P61586 2/20 0.36
▸ SCN10A Q9Y5Y9 2/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ CCR2 P41597 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.35
▸ CPT2 P23786 1/20 0.35
▸ CPT1A P50416 1/20 0.35
▸ CPT1B Q92523 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ IDH2 P48735 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
SCHEMBL17778473 0.92 TSHR (0.38) KDM4EUSP2LMNATSHRHSD17B10
SCHEMBL17778477 0.91 TRPV1 (0.35) KDM4EUSP2LMNATSHRHSD17B10
SCHEMBL20550498 0.90 TRPV1 (0.38) KDM4EUSP2LMNATSHRHSD17B10
SCHEMBL17769801 0.90 TRPV1 (0.38) KDM4EUSP2LMNATSHRHSD17B10
SCHEMBL20550854 0.90 TRPV1 (0.38) KDM4EUSP2LMNATSHRHSD17B10
SCHEMBL17778333 0.89 KIF11 (0.37) KDM4EUSP2LMNATSHRHSD17B10
SCHEMBL20550448 0.85 RAF1 (0.37) KDM4EUSP2LMNATSHRHSD17B10
SCHEMBL20550447 0.85 RAF1 (0.37) KDM4EUSP2LMNATSHRHSD17B10
SCHEMBL17778543 0.85 RAF1 (0.37) KDM4EUSP2LMNATSHRHSD17B10
Hydrochloric Acid SCHEMBL20550370 0.85 RAF1 (0.37) KDM4EUSP2LMNATSHRHSD17B10

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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