SCHEMBL3581445

SCHEMBL3581445

CNc1cnc(Cl)cc1C(=O)N(CCc1cccc(C(F)(F)F)c1)Cc1ccc(C2CCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.37
F2R P25116 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
SLC2A1 P11166 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
NAMPT P43490 1/20 0.35
P2RX3 P56373 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
S1PR1 P21453 1/20 0.34
GRK5 P34947 1/20 0.34
CDK8 P49336 1/20 0.34
S1PR5 Q9H228 1/20 0.34
P2RX7 Q99572 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CCR1 P32246 1/20 0.34
GRM2 Q14416 1/20 0.34
GRM3 Q14832 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
SCHEMBL3569717 0.88 LMNA (0.40) STAT3HDAC1HDAC8TRPV1CYP3A4
SCHEMBL3579370 0.87 SLC2A1 (0.39) HDAC1HDAC8SLC2A1TRPV1NAMPT
SCHEMBL3579673 0.86 NAMPT (0.40) HDAC1HDAC8SLC2A1TRPV1NAMPT
SCHEMBL3575504 0.86 SLC2A1 (0.38) HDAC1HDAC8SLC2A1TRPV1NAMPT
SCHEMBL3581176 0.86 SLC2A1 (0.38) HDAC1HDAC8SLC2A1TRPV1NAMPT
SCHEMBL3584245 0.86 SIGMAR1 (0.34) CYP3A4CYP2D6P2RX7
SCHEMBL3574398 0.86 STAT3 (0.37) STAT3F2RHDAC1HDAC8SLC2A1
SCHEMBL3576623 0.85 LMNA (0.41) HDAC1HDAC8SLC2A1TRPV1CYP3A4
SCHEMBL3573226 0.83 CNR1 (0.37) STAT3HDAC1HDAC8SLC2A1TRPV1
SCHEMBL3583457 0.82 LMNA (0.39) STAT3HDAC1HDAC8CYP3A4CYP2D6

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