SCHEMBL7889125

SCHEMBL7889125

COc1cccc(C)c1N(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA7 P43166 3/20 0.43
CA9 Q16790 3/20 0.43
CA12 O43570 2/20 0.43
CA14 Q9ULX7 2/20 0.43
CA4 P22748 1/20 0.43
TSHR P16473 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 2/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA1D P25100 1/20 0.38

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
SCHEMBL18353301 0.89 NFE2L2 (0.45) TSHRHPGDRELACYP1A2ALDH1A1
SCHEMBL7883815 0.87 TTR (0.40) TSHRMEN1KMT2ANPC1HPGD
SCHEMBL7883806 0.82 TSHR (0.43) CA1CA2CA7CA9TSHR
SCHEMBL18509715 0.76 CA1 (0.44) CA1CA2CA7CA9CA12
SCHEMBL15883218 0.75 TP53 (0.51) CA1CA2CA7CA9CA12
SCHEMBL8146985 0.74 CA1 (0.43) CA1CA2CA7CA9CA12
SCHEMBL18789193 0.74 CA1 (0.39) CA1CA2CA7CA9CA12
SCHEMBL19753581 0.73 CA12 (0.38) CA1CA2CA7CA9CA12
SCHEMBL4669496 0.72 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL29449742 0.72 CA1 (0.50) CA1CA2CA7CA9CA12

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
US-6177220-B1 FOR USE AS ELECTRIC CHARGE TRANSFERRING MATERIAL OF THE ELECTROPHOTOSENSITIVE MATERIAL KYOCERA MITA CORPORATION (JP) 2001-01-23 US disclosed
US-6022998-A ELECTRON CHARGE TRANSFERRING MATERIAL (PARTICULARLY HOLE TRANSFERRING MATERIAL) IN AN ELECTROPHOTOSENSITIVE MATERIAL MITA INDUSTRIAL CO., LTD. (JP) 2000-02-08 US disclosed