SCHEMBL3575614

SCHEMBL3575614

CNc1ncc(Cl)cc1C(=O)N(CCc1cccc(C(F)(F)F)c1)Cc1ccc(C2(F)CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.37
SLC2A1 P11166 1/20 0.37
LMNA P02545 3/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NAMPT P43490 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
S1PR1 P21453 1/20 0.35
GRK5 P34947 1/20 0.35
CDK8 P49336 1/20 0.35
S1PR5 Q9H228 1/20 0.35

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
SCHEMBL3570789 0.89 CNR1 (0.39) CNR1SLC2A1LMNAHPGDMEN1
SCHEMBL3570653 0.89 CNR1 (0.39) CNR1SLC2A1LMNAHPGDMEN1
SCHEMBL3581186 0.89 CNR1 (0.39) CNR1SLC2A1LMNAHPGDMEN1
SCHEMBL3583456 0.88 CNR1 (0.38) CNR1SLC2A1LMNAHPGDMEN1
SCHEMBL3582301 0.88 NAMPT (0.40) CNR1SLC2A1LMNAHPGDMEN1
SCHEMBL3573226 0.87 CNR1 (0.37) CNR1SLC2A1LMNAHPGDMEN1
SCHEMBL3573789 0.87 LMNA (0.41) CNR1SLC2A1LMNAHPGDMEN1
SCHEMBL3574398 0.86 STAT3 (0.37) CNR1SLC2A1LMNAHPGDMEN1
SCHEMBL3575233 0.86 SLC2A1 (0.42) CNR1SLC2A1LMNAHPGDMEN1
SCHEMBL3580019 0.85 LMNA (0.40) CNR1SLC2A1LMNAHPGDMEN1

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 4 patents. 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
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed
CN-101379036-B Anthranilamide/2-amino-heteroarene carboxamide derivatives HOFFMANN LA ROCHE 2011-06-01 CN disclosed
CN-101379036-A Anthranilamide/2-amino-heteroarene carboxamide derivatives HOFFMANN LA ROCHE (CH) 2009-03-04 CN disclosed