SCHEMBL17769784

SCHEMBL17769784

O=C(Nc1ccnc(OCC(O)CO)n1)N1c2nc(-c3cccc(C(F)(F)F)c3)ncc2N2CCCC1C2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ KIF11 P52732 1/20 0.34
▸ CPT2 P23786 1/20 0.34
▸ CPT1A P50416 1/20 0.34
▸ CPT1B Q92523 1/20 0.34
▸ KCNJ6 P48051 1/20 0.33
▸ KCNJ5 P48544 1/20 0.33
▸ KCNJ3 P48549 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ CNR2 P34972 2/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ IDH2 P48735 1/20 0.32

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
SCHEMBL20550367 1.00 KDM4E (0.34) KDM4EUSP2LMNAALOX15TSHR
SCHEMBL17769783 1.00 KDM4E (0.34) KDM4EUSP2LMNAALOX15TSHR
SCHEMBL17778472 1.00 KDM4E (0.34) KDM4EUSP2LMNAALOX15TSHR
SCHEMBL17778373 1.00 KDM4E (0.34) KDM4EUSP2LMNAALOX15TSHR
SCHEMBL20550617 0.96 KDM4E (0.33) KDM4EUSP2LMNATSHRHSD17B10
SCHEMBL17769445 0.96 KDM4E (0.33) KDM4EUSP2LMNATSHRHSD17B10
SCHEMBL20550583 0.96 KDM4E (0.33) KDM4EUSP2LMNATSHRHSD17B10
SCHEMBL17769401 0.91 CPT2 (0.37) KDM4EUSP2LMNAALOX15TSHR
SCHEMBL17769483 0.91 CPT2 (0.37) KDM4EUSP2LMNAALOX15TSHR
SCHEMBL17769487 0.91 CPT2 (0.37) KDM4EUSP2LMNAALOX15TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3220918-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2017-09-27 — — EP disclosed
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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