SCHEMBL9683791

SCHEMBL9683791

N#CC=Cc1cccc(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.38
MAOB P27338 6/20 0.36
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD11B1 P28845 1/20 0.33
ENPP2 Q13822 1/20 0.33
P4HB P07237 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
GRIN2D O15399 2/20 0.32
GRIN3B O60391 2/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2A Q12879 2/20 0.32
GRIN2B Q13224 2/20 0.32
GRIN2C Q14957 2/20 0.32
GRIN3A Q8TCU5 2/20 0.32
AR P10275 1/20 0.31
TNF P01375 1/20 0.31
IL6 P05231 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
SCHEMBL4728560 0.84 NFKB1 (0.53) NFKB1MAOBLMNAP4HBABCG2
SCHEMBL5644762 0.84 NFKB1 (0.53) NFKB1MAOBLMNAP4HBABCG2
SCHEMBL9681814 0.81 NFKB1 (0.37) NFKB1MAOBLMNASMN1; SMN2ENPP2
SCHEMBL9514028 0.81 NFKB1 (0.37) NFKB1MAOBLMNASMN1; SMN2ENPP2
SCHEMBL9682815 0.75 NOTUM (0.37) NFKB1MAOBLMNASMN1; SMN2HSD11B1
SCHEMBL2030928 0.72 NFE2L2 (0.35) NFKB1HSD11B1ENPP2AR
SCHEMBL2030929 0.72 NFE2L2 (0.35) NFKB1HSD11B1ENPP2AR
SCHEMBL1600817 0.72 PIM1 (0.43) NFKB1MAOBLMNAHSD11B1P4HB
SCHEMBL453534 0.72 NFKB1 (0.39) NFKB1MAOBLMNAHSD11B1P4HB
SCHEMBL6391430 0.70 NFKB1 (0.54) NFKB1MAOBLMNASMN1; SMN2P4HB

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-5166395-A Chemical intermediates with trifluoromethyl derivatives BAYER AKTIENGESELLSCHAFT (DE) 1992-11-24 US disclosed
US-5091408-A FUNGICIDAL 3-CYANO-4-PHENYL-PYRROLES BAYER AKTIENGESELLSCHAFT (DE) 1992-02-25 US disclosed