SCHEMBL5483064

SCHEMBL5483064

O=C(NCCCCCCNC(=O)c1cccnc1)c1cccnc1

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.73
KEAP1 Q14145 1/20 0.70
NFE2L2 Q16236 1/20 0.70
THRB P10828 1/20 0.70
RAB9A P51151 4/20 0.69
NAMPT P43490 1/20 0.69
KMT2A Q03164 6/20 0.68
MEN1 O00255 5/20 0.68
SMN1; SMN2 Q16637 4/20 0.68
NPC1 O15118 3/20 0.68
TDP1 Q9NUW8 1/20 0.64
CYP2C9 P11712 2/20 0.64
CYP2C19 P33261 2/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
MAPT P10636 1/20 0.62
ALDH1A1 P00352 1/20 0.62
GAA P10253 1/20 0.62
ALOX15 P16050 1/20 0.61
HSD17B10 Q99714 1/20 0.61

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
SCHEMBL9763664 1.00 EPHX2 (0.73) EPHX2KEAP1NFE2L2THRBRAB9A
SCHEMBL17822214 0.98 EPHX2 (0.75) EPHX2KEAP1NFE2L2THRBRAB9A
SCHEMBL9809561 0.95 RAB9A (0.76) EPHX2KEAP1NFE2L2THRBRAB9A
SCHEMBL16323089 0.94 THRB (0.67) EPHX2KEAP1NFE2L2THRBRAB9A
SCHEMBL16341081 0.94 THRB (0.67) EPHX2KEAP1NFE2L2THRBRAB9A
SCHEMBL25330125 0.92 NAAA (0.68) EPHX2KEAP1NFE2L2THRBRAB9A
SCHEMBL22000501 0.92 RAB9A (0.65) EPHX2KEAP1NFE2L2THRBRAB9A
SCHEMBL22170882 0.92 EPHX2 (0.64) EPHX2KEAP1NFE2L2THRBRAB9A
SCHEMBL11083072 0.92 NAAA (0.68) EPHX2KEAP1NFE2L2THRBRAB9A
SCHEMBL9763677 0.92 NAAA (0.68) EPHX2KEAP1NFE2L2THRBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070020239-A1 HEXIMI as a suppressor of HIV replication and cardiac hypertrophy REGENTS OF THE UNIVERSITY OF CALIFORNIA 2007-01-25 US claimed
US-7132454-B2 HEXIM1 as a suppressor of HIV replication and cardiac hypertrophy REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-11-07 US claimed
US-7132454-B2 HEXIM1 as a suppressor of HIV replication and cardiac hypertrophy REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-11-07 US disclosed
EP-1164413-B1 High contrast photographic element containing a nucleator EASTMAN KODAK CO (US) 2006-11-02 EP disclosed
EP-1229383-B1 High contrast photographic element containing a novel combination of nucleators EASTMAN KODAK CO (US) 2004-04-07 EP disclosed
US-6573021-B2 Graphic arts EASTMAN KODAK COMPANY 2003-06-03 US disclosed
US-20020192589-A1 High contrast photographic element containing a novel combination of nucleators EASTMAN KODAK COMPANY 2002-12-19 US disclosed
EP-1229383-A1 High contrast photographic element containing a novel combination of nucleators EASTMAN KODAK COMPANY (US) 2002-08-07 EP disclosed
EP-1164413-A1 High contrast photographic element containing a nucleator EASTMAN KODAK COMPANY (US) 2001-12-19 EP disclosed
US-6245480-B1 SUPORT COATED WITH A SILVER HALIDE EMULSION LAYER WHICH CONTAINS IN THE EMULSION LAYER OR A HYDROPHILIC COLLOID LAYER A NUCLEATING AGENT HAVING TWO LINKED NICOTINAMIDE MOIETIES AND A HYDRAZIDE MOIETY LINKED TO ONLY ONE OF THEM EASTMAN KODAK COMPANY 2001-06-12 US disclosed