SCHEMBL3568221

SCHEMBL3568221

CNc1ccc(Cl)c(Cl)c1C(=O)N(CCc1cccc(C(F)(F)F)c1)Cc1ccc(C2(OC)CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.36
MCL1 Q07820 1/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
KCNH2 Q12809 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
CNR1 P21554 1/20 0.34
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL3581360 0.85 MCL1 (0.40) SLC2A1MCL1LMNAHPGDMEN1
SCHEMBL3576227 0.85 ALDH1A1 (0.37) MEN1KMT2ACYP1A2CYP2D6CYP2C19
SCHEMBL3578656 0.84 MCL1 (0.37) SLC2A1MCL1LMNAHPGDMEN1
SCHEMBL3583628 0.79 MCL1 (0.40) SLC2A1MCL1LMNAHPGDMEN1
SCHEMBL27750941 0.78 MCL1 (0.37) MCL1LMNAHPGDMEN1KMT2A
SCHEMBL3582291 0.78 MCL1 (0.39) SLC2A1MCL1LMNAHPGDMEN1
SCHEMBL3573789 0.78 LMNA (0.41) SLC2A1LMNAHPGDMEN1KMT2A
SCHEMBL3583039 0.77 CNR1 (0.43) MCL1LMNAMEN1KMT2ACYP1A2
SCHEMBL3577275 0.77 MCL1 (0.39) SLC2A1MCL1LMNAHPGDMEN1
SCHEMBL3579273 0.77 LMNA (0.37) MCL1LMNAHPGDMEN1KMT2A

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-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US claimed