SCHEMBL17950016

SCHEMBL17950016

Fc1ccc(C(F)(F)F)cc1-n1c2ccccc2c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 3/20 0.53
▸ HSP90AA1 P07900 2/20 0.45
▸ PPARG P37231 2/20 0.38
▸ PPARA Q07869 2/20 0.38
▸ MAPT P10636 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ KCNMA1 Q12791 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ATM Q13315 1/20 0.37

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
SCHEMBL17950247 0.90 KIF11 (0.44) KIF11HSP90AA1PPARGPPARAMAPT
SCHEMBL17950009 0.90 KIF11 (0.53) KIF11HSP90AA1PPARGPPARAMAPT
SCHEMBL26496774 0.85 KIF11 (0.54) KIF11HSP90AA1PPARGPPARAMAPT
SCHEMBL17950007 0.83 KIF11 (0.53) KIF11HSP90AA1PPARGPPARAMAPT
SCHEMBL17950225 0.82 KIF11 (0.46) KIF11HSP90AA1MAPTMEN1KMT2A
SCHEMBL28842830 0.82 KIF11 (0.51) KIF11HSP90AA1PPARGPPARAMAPT
SCHEMBL22044227 0.82 KIF11 (0.40) KIF11HSP90AA1PPARGPPARACYP1A2
SCHEMBL18361132 0.81 KIF11 (0.54) KIF11HSP90AA1PPARGPPARAMAPT
SCHEMBL17950246 0.81 KIF11 (0.44) KIF11HSP90AA1PPARGPPARAMAPT
SCHEMBL18360986 0.80 KIF11 (0.57) KIF11HSP90AA1PPARGPPARAMAPT

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
WO-2016116497-A1 ORGANIC MOLECULES, IN PARTICULAR, FOR USE IN OPTOELECTRONIC COMPONENTS CYNORA GMBH (DE) 2016-07-28 — — WO disclosed
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