SCHEMBL6063375

SCHEMBL6063375

COc1ccc(F)c(Bc2c(F)c(F)c(OC)c(F)c2F)c1F

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 6/20 0.37
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
HTT P42858 2/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
NFE2L2 Q16236 2/20 0.31
CYP19A1 P11511 2/20 0.31
MAPK1 P28482 2/20 0.31
LMNA P02545 1/20 0.31
RAB9A P51151 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
NQO2 P16083 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
SCHEMBL6062192 0.97 TUBB1 (0.35) TUBB1HTR2AHTR2CHTR2BHTT
SCHEMBL5355583 0.89 TUBB1 (0.43) TUBB1HTR2AHTR2CHTR2BHTT
SCHEMBL5346510 0.86 TUBB1 (0.38) TUBB1HTR2AHTR2CHTR2BHTT
SCHEMBL6063832 0.84 TUBB1 (0.45) TUBB1HTR2AHTR2CHTR2BHTT
SCHEMBL6062151 0.83 TUBB1 (0.38) TUBB1HTTNFE2L2MAPK1LMNA
SCHEMBL6062413 0.83 TUBB1 (0.44) TUBB1HTR2AHTR2CHTR2BHTT
SCHEMBL6063437 0.83 CYP2C9 (0.31) MEN1KMT2A
SCHEMBL6063456 0.83 TUBB1 (0.44) TUBB1HTR2AHTR2CHTR2BHTT
SCHEMBL6063351 0.82 TUBB1 (0.41) TUBB1HTR2AHTR2CHTR2BHTT
SCHEMBL6062526 0.81 TUBB1 (0.42) TUBB1HTR2AHTR2CHTR2BHTT

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