SCHEMBL6062483

SCHEMBL6062483

COc1ccc(F)c(Bc2cc(F)cc(F)c2F)c1F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 4/20 0.41
NFE2L2 Q16236 3/20 0.35
PTGS1 P23219 1/20 0.33
HTT P42858 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
TRPA1 O75762 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
P2RX7 Q99572 1/20 0.31
ALDH1A1 P00352 2/20 0.30
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30
CA2 P00918 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
SCHEMBL6062818 0.88 TUBB1 (0.36) TUBB1NFE2L2PTGS1HTTMEN1
SCHEMBL5350651 0.88 TUBB1 (0.37) TUBB1NFE2L2PTGS1HTTMEN1
SCHEMBL6062497 0.85 TUBB1 (0.40) TUBB1NFE2L2PTGS1HTTMEN1
SCHEMBL6062355 0.84 TUBB1 (0.36) TUBB1NFE2L2
SCHEMBL6063023 0.83 TUBB1 (0.38) TUBB1NFE2L2PTGS1HTTMEN1
SCHEMBL6062371 0.82 TUBB1 (0.33) TUBB1TRPA1
SCHEMBL5355583 0.81 TUBB1 (0.43) TUBB1NFE2L2PTGS1HTTMEN1
SCHEMBL6063832 0.80 TUBB1 (0.45) TUBB1NFE2L2PTGS1HTTMEN1
SCHEMBL6062381 0.79 TUBB1 (0.41) TUBB1NFE2L2PTGS1HTTLMNA
SCHEMBL6063456 0.79 TUBB1 (0.44) TUBB1NFE2L2PTGS1HTTMEN1

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
US-20060264320-A1 Hydrophobization and silica for supported catalyst RODRIGUEZ GEORGE 2006-11-23 US disclosed