SCHEMBL6063560

SCHEMBL6063560

COc1ccc(F)c(Bc2c(F)cc(F)c(F)c2C)c1F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 4/20 0.41
ALDH1A1 P00352 2/20 0.33
NFE2L2 Q16236 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
ACHE P22303 1/20 0.32
P2RX7 Q99572 1/20 0.31
PTGS2 P35354 1/20 0.30
GAA P10253 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 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
SCHEMBL5366348 0.89 TUBB1 (0.40) TUBB1ALDH1A1NFE2L2LMNAMAPK1
SCHEMBL6063456 0.89 TUBB1 (0.44) TUBB1ALDH1A1NFE2L2LMNAMAPK1
SCHEMBL6063832 0.87 TUBB1 (0.45) TUBB1ALDH1A1NFE2L2LMNAMAPK1
SCHEMBL5355583 0.85 TUBB1 (0.43) TUBB1NFE2L2LMNAMAPK1HTT
SCHEMBL6062372 0.84 TUBB1 (0.36) TUBB1
SCHEMBL5354701 0.83 TUBB1 (0.40) TUBB1NFE2L2LMNAMAPK1HTT
SCHEMBL6062151 0.83 TUBB1 (0.38) TUBB1ALDH1A1NFE2L2LMNAMAPK1
SCHEMBL6062497 0.82 TUBB1 (0.40) TUBB1ALDH1A1NFE2L2LMNAMAPK1
SCHEMBL5346510 0.82 TUBB1 (0.38) TUBB1NFE2L2LMNAMAPK1HTT
SCHEMBL6062413 0.82 TUBB1 (0.44) TUBB1ALDH1A1NFE2L2LMNAMAPK1

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