SCHEMBL9958382

SCHEMBL9958382

Fc1ccc(CCNCc2ccc(OC(F)(F)F)c(Cl)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.64
CYP2D6 P10635 2/20 0.64
CYP2C19 P33261 2/20 0.64
CYP2C9 P11712 1/20 0.64
CYP3A4 P08684 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.48
LTA4H P09960 1/20 0.46
EPHX2 P34913 1/20 0.46
TRPV6 Q9H1D0 1/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
LMNA P02545 2/20 0.42
KMT2A Q03164 1/20 0.42
MCHR1 Q99705 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
SCN3A Q9NY46 1/20 0.41

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
SCHEMBL27322551 0.79 CYP2D6 (0.38) CYP1A2CYP2D6CYP2C19CYP2C9SCN3A
SCHEMBL26027674 0.79 CYP1A2 (0.38) CYP1A2CYP2D6CYP2C19CYP2C9LMNA
SCHEMBL30694817 0.79 KDM4E (0.50) CYP1A2CYP2D6CYP2C19CYP3A4KDM4E
SCHEMBL25369019 0.79 KDM4E (0.50) CYP1A2CYP2D6CYP2C19CYP3A4KDM4E
SCHEMBL27371895 0.78 RORC (0.46) SCN3A
SCHEMBL27376455 0.78 KDM4E (0.49) CYP1A2CYP2D6CYP2C19CYP3A4KDM4E
SCHEMBL32684924 0.77 CYP1A2 (0.38) CYP1A2CYP2D6CYP2C19CYP2C9KMT2A
SCHEMBL22504164 0.76 S1PR2 (0.39) CYP1A2CYP2D6CYP2C19CYP2C9KDM4E
SCHEMBL22489532 0.76 MRGPRX4 (0.51) SCN3AHTR2A
SCHEMBL16220025 0.76 SCN3A (0.42) SCN3A

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
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