SCHEMBL13746010

SCHEMBL13746010

COC(=O)C(C(=O)C1CCC(C(F)(F)F)CC1)c1ccc2ocnc2c1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CTNNB1 P35222 4/20 0.33
WNT3A P56704 4/20 0.33
HSP90AB1 P08238 1/20 0.31
MAPK1 P28482 1/20 0.31
NAMPT P43490 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
FABP4 P15090 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
SCHEMBL4024212 0.88 MEN1 (0.38) BRD4CREBBPMEN1ALDH1A1GAA
SCHEMBL4025663 0.77 DPP4 (0.38) ALDH1A1KMT2A
SCHEMBL4021827 0.76 SLC6A3 (0.42) MEN1ALDH1A1GAAKMT2ANPC1
SCHEMBL287176 0.72 MEN1 (0.44) MEN1ALDH1A1GAAKMT2ANPC1
SCHEMBL13746955 0.70 PI4KB (0.36) MEN1ALDH1A1GAAKMT2ANPC1
SCHEMBL4018835 0.68 P2RX7 (0.39)
SCHEMBL13746880 0.68 GAA (0.41) MEN1ALDH1A1GAAKMT2ANPC1
SCHEMBL4022629 0.67 SLC6A3 (0.37) ALDH1A1
SCHEMBL4021356 0.66 SLC6A3 (0.40) MEN1ALDH1A1GAAKMT2ANPC1
SCHEMBL29105688 0.65 CYP19A1 (0.44) ALDH1A1KMT2AMAPK1

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-2009100403-A1 SUBSTITUTED ARYL PYRIMIDINONES NEUROGEN CORPORATION (US) 2009-08-13 WO disclosed