SCHEMBL6677646

SCHEMBL6677646

O=C(NC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
PKM P14618 1/20 0.50
ALDH1A1 P00352 1/20 0.48
MPO P05164 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2A6 P11509 1/20 0.46
CYP2C19 P33261 1/20 0.46
GAA P10253 1/20 0.44
PLOD2 O00469 1/20 0.44
PLOD3 O60568 1/20 0.44
PLOD1 Q02809 1/20 0.44
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41

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
SCHEMBL3209205 0.79 KDM4E (0.44) KDM4EPKMALDH1A1MPOCYP1A2
SCHEMBL4043331 0.78 ALDH1A1 (0.59) KDM4EPKMALDH1A1MPOCYP1A2
Hydrochloric Acid SCHEMBL28122950 0.77 ALDH1A1 (0.57) KDM4EPKMALDH1A1MPOCYP1A2
SCHEMBL1423877 0.71 SMN1; SMN2 (0.67) KDM4EPKMALDH1A1MPOCYP1A2
SCHEMBL1233873 0.68 ALDH1A1 (0.55) KDM4EPKMALDH1A1MPOCYP1A2
SCHEMBL6238748 0.68 ALDH1A1 (0.67) KDM4EALDH1A1MPOCYP1A2CYP3A4
SCHEMBL1004510 0.67 NPC1 (0.50) ALDH1A1GAASMN1; SMN2POLBRAB9A
SCHEMBL2992964 0.67 ALDH1A1 (1.00) KDM4EALDH1A1MPOCYP1A2CYP3A4
SCHEMBL2004792 0.67 ALDH1A1 (0.73) KDM4EALDH1A1MPOCYP1A2CYP3A4
SCHEMBL2992170 0.67 ALDH1A1 (0.70) KDM4EPKMALDH1A1MPOCYP1A2

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-2004034139-A1 METHOD OF IMPROVING THE THRESHOLD VOLTAGE OF AN ELECTROPHORETIC DISPERSION, IMPROVED ELECTROPHORETIC DISPERSION, AND ELECTROPHORETIC DISPLAY COMRISING SUCH A DISPERSION SIPIX IMAGING, INC. (US) 2004-04-22 WO disclosed