SCHEMBL28043674

SCHEMBL28043674

FC(F)(F)c1ccc(-c2nnc(-c3ccccn3)[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 2/20 0.53
TRPV1 Q8NER1 3/20 0.51
SCN2A Q99250 2/20 0.49
TGFBR1 P36897 1/20 0.47
ALDH1A1 P00352 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPK13 O15264 1/20 0.44
RAF1 P04049 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
MAPK14 Q16539 1/20 0.44
GRM5 P41594 1/20 0.43
TNKS O95271 1/20 0.43
WNT3A P56704 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43

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
SCHEMBL416443 0.85 METAP2 (0.53) CBFBTRPV1ALDH1A1KMT2ANPSR1
SCHEMBL8041610 0.84 HTT (0.50) CBFBTRPV1SCN2ATGFBR1ALDH1A1
SCHEMBL28205258 0.83 METAP1 (0.50) CBFBTGFBR1KMT2AMAPK14GRM5
SCHEMBL12438899 0.82 NPY5R (0.59) TGFBR1ALDH1A1HTTKMT2ATDP1
SCHEMBL2615556 0.80 TRPV1 (0.66) CBFBTRPV1TGFBR1GRM5NPY5R
SCHEMBL30007927 0.80 TRPV1 (0.66) CBFBTRPV1TGFBR1GRM5NPY5R
SCHEMBL5478697 0.80 KDM4E (0.59) ALDH1A1HSP90AA1HTTKMT2ATDP1
SCHEMBL9111577 0.80 NPY5R (0.45) ALDH1A1HSP90AA1HTTKMT2ANPSR1
SCHEMBL28732649 0.79 TRPV1 (0.64) CBFBTRPV1TGFBR1GRM5NPY5R
SCHEMBL28964409 0.79 TRPV1 (0.64) CBFBTRPV1TGFBR1GRM5NPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105085579-B N hexyl carbazole substituted-phenyl benzothiazole iridium (III) complexs and its preparation 太原理工大学 2018-03-27 CN disclosed
CN-105085579-A N-hexyl carbazole substituted phenyl benzothiazole iridium (III) complex and preparation thereof UNIV TAIYUAN TECHNOLOGY 2015-11-25 CN disclosed