SCHEMBL3584461

SCHEMBL3584461

CCc1ccc(CN(CCc2cccc(C(F)(F)F)c2)C(=O)c2cc(Cl)ccc2NC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
HPGD P15428 1/20 0.44
CNR1 P21554 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP2C9 P11712 1/20 0.41
ATM Q13315 1/20 0.41
MPO P05164 1/20 0.41
C5AR1 P21730 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
HSPH1 Q92598 1/20 0.39
SLC2A1 P11166 1/20 0.39
NAMPT P43490 1/20 0.39

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
SCHEMBL3573413 0.93 LMNA (0.44) LMNAHPGDCNR1SMN1; SMN2MEN1
SCHEMBL3585679 0.93 LMNA (0.44) LMNAHPGDCNR1SMN1; SMN2MEN1
SCHEMBL3575609 0.92 LMNA (0.43) LMNAHPGDCNR1SMN1; SMN2MEN1
SCHEMBL3575570 0.91 TRPV1 (0.42) LMNAHPGDCNR1SMN1; SMN2MEN1
SCHEMBL3579622 0.91 CETP (0.43) LMNAHPGDCNR1SMN1; SMN2MEN1
SCHEMBL3586185 0.91 LMNA (0.43) LMNAHPGDCNR1SMN1; SMN2MEN1
SCHEMBL3573789 0.90 LMNA (0.41) LMNAHPGDCNR1SMN1; SMN2MEN1
SCHEMBL3576623 0.89 LMNA (0.41) LMNAHPGDCNR1SMN1; SMN2MEN1
SCHEMBL3579168 0.89 SLC2A1 (0.41) LMNAHPGDCNR1SMN1; SMN2MEN1
SCHEMBL3580019 0.87 LMNA (0.40) LMNAHPGDCNR1SMN1; SMN2MEN1

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