SCHEMBL8601771

SCHEMBL8601771

C=CNc1ccccc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.53
ALDH1A1 P00352 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
SIGMAR1 Q99720 1/20 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
SCHEMBL2096095 0.79 POLB (0.53) POLBALDH1A1TDP1L3MBTL1KDM4E
SCHEMBL27004797 0.77 ALDH1A1 (0.36) ALDH1A1TSHR
SCHEMBL23581575 0.75 POLB (0.64) POLBALDH1A1TDP1L3MBTL1KDM4E
SCHEMBL395435 0.75 ALDH1A1 (0.64) POLBALDH1A1TDP1L3MBTL1KDM4E
SCHEMBL9454925 0.75 ALDH1A1 (0.48) POLBALDH1A1TDP1L3MBTL1KDM4E
SCHEMBL20856975 0.73 POLB (0.61) POLBALDH1A1TDP1L3MBTL1KDM4E
SCHEMBL1921414 0.73 ALDH1A1 (0.61) POLBALDH1A1TDP1L3MBTL1KDM4E
SCHEMBL29505834 0.72 SMN1; SMN2 (0.53) POLBALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL11873425 0.72 SMN1; SMN2 (0.53) POLBALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL27834660 0.72 POLB (0.46) POLBALDH1A1TDP1L3MBTL1KDM4E

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-1998000750-A1 PROCESS FOR PRODUCING LIQUID CRYSTAL ALIGNMENT LAYER AND LIQUID CRYSTAL DISPLAY DEVICE WITH THE USE OF THE SAME HOECHST RESEARCH & TECHNOLOGY DEUTSCHLAND GMBH & CO. KG (DE) 1998-01-08 WO disclosed