SCHEMBL3579370

SCHEMBL3579370

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.39
HDAC8 Q9BY41 2/20 0.37
HDAC1 Q13547 1/20 0.37
NAMPT P43490 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.36
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TRPV1 Q8NER1 1/20 0.36
NR3C2 P08235 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 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
P2RX3 P56373 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
SCHEMBL3575504 0.92 SLC2A1 (0.38) SLC2A1HDAC8HDAC1NAMPTLMNA
SCHEMBL3581176 0.92 SLC2A1 (0.38) SLC2A1HDAC8HDAC1NAMPTLMNA
SCHEMBL3579673 0.91 NAMPT (0.40) SLC2A1HDAC8HDAC1NAMPTTRPM8
SCHEMBL3581445 0.87 STAT3 (0.37) SLC2A1HDAC8HDAC1NAMPTTRPV1
SCHEMBL3575609 0.87 LMNA (0.43) SLC2A1HDAC8HDAC1HDAC11HDAC6
SCHEMBL3574044 0.87 NR1H4 (0.37) TRPM8
SCHEMBL3579507 0.85 HDAC8 (0.41) SLC2A1HDAC8HDAC1NAMPTHDAC11
SCHEMBL3570653 0.85 CNR1 (0.39) SLC2A1HDAC8HDAC1NAMPTHDAC11
SCHEMBL12521170 0.82 OPRM1 (0.44) SLC2A1HDAC8HDAC1HDAC11HDAC6
SCHEMBL3581360 0.81 MCL1 (0.40) SLC2A1HDAC8HDAC1NAMPTHDAC11

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101379036-B Anthranilamide/2-amino-heteroarene carboxamide derivatives HOFFMANN LA ROCHE 2011-06-01 CN claimed
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