SCHEMBL17778561

SCHEMBL17778561

CC(=O)c1nc2c(cc1Cl)N1CCC[C@@H](C1)N2

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ HSD17B10 Q99714 3/20 0.33
▸ GAA P10253 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HPGD P15428 1/20 0.32
▸ NOTUM Q6P988 3/20 0.32
▸ PBK Q96KB5 1/20 0.31
▸ TSHR P16473 1/20 0.30

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
SCHEMBL17769299 0.89 ALDH1A1 (0.41) KDM4EALDH1A1HSD17B10GAAMEN1
SCHEMBL17769346 0.87 SMN1; SMN2 (0.33) KDM4EALDH1A1HSD17B10GAAMEN1
SCHEMBL20733207 0.85 KDM4E (0.39) KDM4E
SCHEMBL20720993 0.81 JAK2 (0.35) KDM4E
SCHEMBL17778615 0.81 JAK2 (0.35) KDM4E
SCHEMBL22239528 0.80 PRKAB2 (0.35) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL17770328 0.80 PRKAB2 (0.35) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL17769314 0.76 CHRNB2 (0.33) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL17769304 0.74 — —
SCHEMBL17769428 0.73 CHRNB2 (0.33) PBK

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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