SCHEMBL987865

SCHEMBL987865

OCC(c1cccc(Br)n1)c1cccc(Br)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.39
S1PR4 O95977 1/20 0.39
S1PR3 Q99500 1/20 0.39
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.35
HTR7 P34969 2/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
ACMSD Q8TDX5 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CTSA P10619 1/20 0.32
KDR P35968 1/20 0.32
KDM1A O60341 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31

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
SCHEMBL805862 0.82 SCN9A (0.41) S1PR2S1PR4S1PR3IRAK4
SCHEMBL16817946 0.82 SCN9A (0.41) S1PR2S1PR4S1PR3IRAK4
SCHEMBL29651973 0.82 SCN9A (0.41) S1PR2S1PR4S1PR3IRAK4
SCHEMBL3675555 0.80 PGK1 (0.36) S1PR2S1PR4S1PR3ALDH1A1HPGD
SCHEMBL18766036 0.80 IRAK4 (0.36) S1PR2S1PR4S1PR3ALDH1A1HPGD
SCHEMBL988633 0.79 S1PR2 (0.39) S1PR2S1PR4S1PR3ALDH1A1HPGD
Hydrochloric Acid SCHEMBL17764407 0.79 IRAK4 (0.36) S1PR2S1PR4S1PR3ALDH1A1HPGD
Hydrochloric Acid SCHEMBL31592712 0.79 IRAK4 (0.36) S1PR2S1PR4S1PR3ALDH1A1HPGD
Hydrochloric Acid SCHEMBL17764408 0.79 IRAK4 (0.36) S1PR2S1PR4S1PR3ALDH1A1HPGD
SCHEMBL3811513 0.76 S1PR2 (0.38) S1PR2S1PR4S1PR3ALDH1A1HPGD

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-2011000873-A1 PHOSPHORESCENT PLATINUM COMPLEXES, THEIR MONOMERS AND COPOLYMERS, AND USES IN ORGANIC ELECTRONIC DEVICES GEORGIA TECH RESEARCH CORPORATION (US) 2011-01-06 WO disclosed