SCHEMBL19210509

SCHEMBL19210509

O=C(O)Oc1c(C(F)F)nn(-c2ccccc2)c1C(F)(F)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 4/20 0.35
MAPK1 P28482 2/20 0.35
LMNA P02545 2/20 0.34
RAB9A P51151 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PDE4D Q08499 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
CYP2C9 P11712 3/20 0.33
HPGD P15428 2/20 0.33
CYP2C19 P33261 2/20 0.33
GAA P10253 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL19210485 0.90 MAPT (0.44) MAPTSMN1; SMN2POLBKMT2AALDH1A1
SCHEMBL19210511 0.88 MAPT (0.36) MAPTSMN1; SMN2POLBKMT2AALDH1A1
SCHEMBL16344203 0.81 POLB (0.42) MAPTSMN1; SMN2POLBKMT2AALDH1A1
SCHEMBL19210510 0.78
SCHEMBL16344560 0.77 PDE4D (0.54) MAPTKMT2AALDH1A1KDM4ELMNA
SCHEMBL27998087 0.77 MAPT (0.42) MAPTSMN1; SMN2POLBKMT2AALDH1A1
SCHEMBL19210503 0.76
SCHEMBL27997992 0.75 MAPT (0.40) MAPTSMN1; SMN2POLBKMT2AALDH1A1
SCHEMBL16344251 0.72 POLB (0.50) MAPTSMN1; SMN2POLBKMT2AALDH1A1
SCHEMBL27997750 0.72 MAPT (0.38) MAPTSMN1; SMN2POLBKMT2AALDH1A1

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
EP-2809653-B1 METHOD FOR PRODUCING 3,5-BIS(FLUORALKYL)-PYRAZOL-4-CARBOXYLIC ACID DERIVATIVES AND 3,5-BIS(FLUORALKYL)-PYRAZOLES BAYER CROPSCIENCE AG (DE) 2017-08-16 EP disclosed