SCHEMBL3575504

SCHEMBL3575504

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
NAMPT P43490 1/20 0.37
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TRPV1 Q8NER1 1/20 0.35
NR3C2 P08235 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
KMT2A Q03164 3/20 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
MRGPRX4 Q96LA9 2/20 0.35
CNR1 P21554 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
SCHEMBL3581176 0.93 SLC2A1 (0.38) SLC2A1HDAC1HDAC8NAMPTLMNA
SCHEMBL3579370 0.92 SLC2A1 (0.39) SLC2A1HDAC1HDAC8NAMPTLMNA
SCHEMBL3579673 0.90 NAMPT (0.40) SLC2A1HDAC1HDAC8NAMPTLMNA
SCHEMBL3580029 0.89 MLYCD (0.34) TRPV1CYP2C19
SCHEMBL3574969 0.89 C5AR1 (0.39) SLC2A1KMT2AMEN1
SCHEMBL3581445 0.86 STAT3 (0.37) SLC2A1HDAC1HDAC8NAMPTTRPV1
SCHEMBL3581186 0.86 CNR1 (0.39) SLC2A1HDAC1HDAC8NAMPTLMNA
SCHEMBL3577889 0.82 C5AR1 (0.39) SLC2A1KMT2AMEN1
SCHEMBL3586185 0.80 LMNA (0.43) SLC2A1HDAC1HDAC8NAMPTLMNA
SCHEMBL3583456 0.80 CNR1 (0.38) SLC2A1HDAC1HDAC8NAMPTLMNA

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