SCHEMBL3586615

SCHEMBL3586615

CC(C)(C)Oc1ccc(CNCCc2ccc(F)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.62
EPHX2 P34913 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
LMNA P02545 2/20 0.54
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA4 P22748 1/20 0.51
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2C9 P11712 1/20 0.49
MITF O75030 1/20 0.48
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
GPR35 Q9HC97 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48
XBP1 P17861 1/20 0.48

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
SCHEMBL3581800 0.85 BCHE (0.58) LTA4HEPHX2LMNAKDM4EALDH1A1
SCHEMBL7855914 0.84 ADRB3 (0.46) KDM4EALDH1A1HTTGAABCHE
SCHEMBL3273909 0.80 L3MBTL1 (0.68) LTA4HEPHX2L3MBTL1LMNAKDM4E
SCHEMBL23474876 0.79 ADRB3 (0.43) L3MBTL1KDM4EALDH1A1HTTGAA
SCHEMBL11922720 0.79 CHRM2 (0.46) LTA4HLMNAKDM4ECYP1A2CYP2D6
Hydrochloric Acid SCHEMBL4026088 0.78 L3MBTL1 (0.66) LTA4HEPHX2L3MBTL1LMNAKDM4E
SCHEMBL3581270 0.77 BCHE (0.52) LTA4HEPHX2KDM4EALDH1A1CNR1
SCHEMBL3578668 0.77 KDM4E (0.58) KDM4ECNR1BCHEHTR2ATAAR1
SCHEMBL8810102 0.77 LTA4H (0.94) LTA4HEPHX2L3MBTL1KDM4EALDH1A1
SCHEMBL11122615 0.76 HRH4 (0.54) LMNAKDM4ECYP1A2CYP2D6CYP2C19

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