SCHEMBL27769367

SCHEMBL27769367

Oc1cc(C(F)(F)F)ccc1-c1nc2ccccc2s1.[Zn]

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.65
RAB9A P51151 7/20 0.65
KDM4E B2RXH2 6/20 0.65
NPC1 O15118 5/20 0.65
NPSR1 Q6W5P4 1/20 0.65
SMN1; SMN2 Q16637 5/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
GAA P10253 3/20 0.53
POLB P06746 2/20 0.53
HSD17B10 Q99714 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
APP P05067 1/20 0.53
THRB P10828 1/20 0.53
ALOX15 P16050 1/20 0.53
CASP1 P29466 1/20 0.53
SNCA P37840 1/20 0.53
CASP7 P55210 1/20 0.53
RXFP1 Q9HBX9 3/20 0.50

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
SCHEMBL27768432 0.99 MAPT (0.67) MAPTRAB9AKDM4ENPC1NPSR1
SCHEMBL13522891 0.89 RAB9A (0.64) MAPTRAB9AKDM4ENPC1NPSR1
SCHEMBL17265013 0.84 MAPT (0.67) MAPTRAB9AKDM4ENPC1NPSR1
SCHEMBL2789529 0.83 EPHX2 (0.52) MAPTRAB9AKDM4ENPC1NPSR1
SCHEMBL12470403 0.83 ILK (0.56) MAPTRAB9AKDM4ENPC1NPSR1
SCHEMBL13522894 0.82 MPL (0.49) MAPTRAB9AKDM4ENPC1NPSR1
SCHEMBL12471082 0.82 KDM4E (0.62) MAPTRAB9AKDM4ENPC1NPSR1
SCHEMBL17265015 0.80 MAPT (0.72) MAPTRAB9AKDM4ENPC1NPSR1
SCHEMBL7192101 0.79 KDM4E (1.00) MAPTRAB9AKDM4ENPC1NPSR1
SCHEMBL29693710 0.79 KDM4E (1.00) MAPTRAB9AKDM4ENPC1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101771136-B Method for preparing white organic light-emitting diode (WOLED) with high color purity UNIV TAIYUAN TECHNOLOGY 2012-01-04 CN claimed
CN-101771136-A Method for preparing white organic light-emitting diode (WOLED) with high color purity UNIV TAIYUAN TECHNOLOGY 2010-07-07 CN claimed
CN-101771136-B Method for preparing white organic light-emitting diode (WOLED) with high color purity UNIV TAIYUAN TECHNOLOGY 2012-01-04 CN disclosed
CN-101771136-A Method for preparing white organic light-emitting diode (WOLED) with high color purity UNIV TAIYUAN TECHNOLOGY 2010-07-07 CN disclosed
CN-101481613-A Electroluminescent organic material based on benzothiazolyl UNIV TAIYUAN TECHNOLOGY (CN) 2009-07-15 CN disclosed