SCHEMBL3574398

SCHEMBL3574398

CNc1ncc(Cl)cc1C(=O)N(CCc1cccc(C(F)(F)F)c1)Cc1ccc(C2CCC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
SLC2A1 P11166 1/20 0.36
CNR1 P21554 1/20 0.36
S1PR1 P21453 1/20 0.36
GRK5 P34947 1/20 0.36
CDK8 P49336 1/20 0.36
S1PR5 Q9H228 1/20 0.36
CCR1 P32246 1/20 0.36
CETP P11597 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
NAMPT P43490 1/20 0.35
F2R P25116 1/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 1/20 0.35
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 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
SCHEMBL3573226 0.97 CNR1 (0.37) STAT3HDAC1HDAC8SLC2A1CNR1
SCHEMBL3586134 0.89 SLC2A1 (0.36) HDAC1HDAC8SLC2A1CNR1S1PR1
SCHEMBL3570789 0.88 CNR1 (0.39) HDAC1HDAC8SLC2A1CNR1CCR1
SCHEMBL3570653 0.87 CNR1 (0.39) HDAC1HDAC8SLC2A1CNR1CCR1
SCHEMBL3581186 0.87 CNR1 (0.39) HDAC1HDAC8SLC2A1CNR1CCR1
SCHEMBL3569717 0.87 LMNA (0.40) STAT3HDAC1HDAC8CNR1S1PR1
SCHEMBL3582301 0.86 NAMPT (0.40) HDAC1HDAC8SLC2A1CNR1CETP
SCHEMBL3583456 0.86 CNR1 (0.38) HDAC1HDAC8SLC2A1CNR1S1PR1
SCHEMBL3576351 0.86 MCHR1 (0.35) CYP3A4CYP2D6CYP1A2CYP2C19SMN1; SMN2
SCHEMBL3581445 0.86 STAT3 (0.37) STAT3HDAC1HDAC8SLC2A1S1PR1

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