SCHEMBL5230955

SCHEMBL5230955

CCc1cc(C(F)(C(F)(F)F)C(F)(F)Br)ccc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
AR P10275 2/20 0.36
ESR1 P03372 5/20 0.35
ESR2 Q92731 4/20 0.35
FFAR4 Q5NUL3 2/20 0.33
PGR P06401 1/20 0.33
KIF11 P52732 1/20 0.32
S100B P04271 1/20 0.32
LMNA P02545 2/20 0.31
FFAR1 O14842 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CFTR P13569 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
HSD11B1 P28845 1/20 0.30

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
SCHEMBL5958735 0.91 MAPT (0.45) MAPTALDH1A1POLBARESR1
SCHEMBL16150691 0.85 MAPT (0.37) MAPTALDH1A1POLBARESR1
SCHEMBL6690284 0.81 MAPT (0.41) MAPTALDH1A1POLBARESR1
SCHEMBL3894118 0.80 CYP3A4 (0.45) MAPTALDH1A1ARESR1ESR2
SCHEMBL8369193 0.80 ALDH1A1 (0.46) MAPTALDH1A1POLBARESR1
SCHEMBL9861314 0.78 MAPT (0.39) MAPTALDH1A1POLBARESR1
SCHEMBL7096170 0.78 NR1H2 (0.47) PGRLMNASMN1; SMN2HSD17B10
SCHEMBL20428885 0.78 ALDH1A1 (0.36) MAPTALDH1A1POLBARESR1
SCHEMBL13516211 0.77 HTT (0.41) MAPTALDH1A1POLBARPGR
SCHEMBL16151196 0.75 AR (0.33) POLBAR

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
EP-1789382-A2 OPTICALLY ACTIVE PHTHALAMIDES Bayer CropScience AG (DE) 2007-05-30 EP disclosed
WO-2006024412-A2 OPTICALLY ACTIVE PHTHALAMIDES BAYER CROPSCIENCE AG (DE) 2006-03-09 WO disclosed